smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CCCN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Cl)cc1Cl ZINC000028647002 132225983 /nfs/dbraw/zinc/22/59/83/132225983.db2.gz GUIKIIGNEJCFOI-UHFFFAOYSA-N 0 3 426.775 5.188 1 0 IKAFHN Clc1ccc([C@H](Cc2ccccc2)c2c(Cl)nc(N3CCNCC3)nc2Cl)cc1 ZINC000001654583 132246178 /nfs/dbraw/zinc/24/61/78/132246178.db2.gz BTPBUQKJMHWWNF-SFHVURJKSA-N 0 3 447.797 5.221 1 0 IKAFHN COc1cccc(-c2cnc(-c3ccncc3)nc2C2CCN(Cc3ccco3)CC2)c1 ZINC000012148749 525715079 /nfs/dbraw/zinc/71/50/79/525715079.db2.gz UQDQMNVXRABRSU-UHFFFAOYSA-N 0 3 426.520 5.187 1 0 IKAFHN O=C(NCCCCN1CCN2c3ccccc3CC[C@H]2C1)c1ccc(-c2ccccc2)cc1 ZINC000001554009 562922930 /nfs/dbraw/zinc/92/29/30/562922930.db2.gz VPTSFCYJNNWWFV-MHZLTWQESA-N 0 3 439.603 5.001 1 0 IKAFHN COc1ccc2c(c1)OC[C@H](c1ccccc1)[C@H]2c1ccc(OCCN2CCCC2)cc1 ZINC000001719403 562924480 /nfs/dbraw/zinc/92/44/80/562924480.db2.gz SKXCQODDFFKXHF-IAPPQJPRSA-N 0 3 429.560 5.478 1 0 IKAFHN COc1ccc2c(c1)oc(=O)c(Oc1ccccc1)c2-c1ccc(OCCN(C)C)cc1 ZINC000001861385 562925083 /nfs/dbraw/zinc/92/50/83/562925083.db2.gz TYQNNJLZHAAOEJ-UHFFFAOYSA-N 0 3 431.488 5.201 1 0 IKAFHN COc1cccc(CN2CCC(N3C(=O)Nc4ccccc4[C@H]3c3ccccc3)CC2)c1 ZINC000003809436 562938384 /nfs/dbraw/zinc/93/83/84/562938384.db2.gz UYHOJKWVMNWOSQ-AREMUKBSSA-N 0 3 427.548 5.297 1 0 IKAFHN c1ccc2c(c1)sc1c2[C@@H](c2ccc(OCCN3CCCCC3)cc2)Oc2ccccc2-1 ZINC000003951500 562939881 /nfs/dbraw/zinc/93/98/81/562939881.db2.gz LJHYLRJDWMLYMC-HHHXNRCGSA-N 0 3 441.596 6.915 1 0 IKAFHN CCCn1c(-c2ccc(F)cc2)nc2c1nc(C)nc2N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000008017219 562948842 /nfs/dbraw/zinc/94/88/42/562948842.db2.gz NVWOKJJKHBGSCM-JOCHJYFZSA-N 0 3 444.558 5.037 1 0 IKAFHN Cn1cc(CN2CCC(n3nccc3NC(=O)c3ccccc3Cl)CC2)c2ccccc21 ZINC000011668183 562978981 /nfs/dbraw/zinc/97/89/81/562978981.db2.gz FBPORJVPTDCLFE-UHFFFAOYSA-N 0 3 447.970 5.118 3 0 IKAFHN O=C(c1ccc(OC2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1)N1CCCCC1 ZINC000012581909 562982831 /nfs/dbraw/zinc/98/28/31/562982831.db2.gz CRTUMBBZOVKQQY-UHFFFAOYSA-N 0 3 446.513 5.375 3 0 IKAFHN c1c(-c2ccccc2)noc1N(CCCN1CCCCC1)Cc1ccc2ccccc2c1 ZINC000013437431 562986064 /nfs/dbraw/zinc/98/60/64/562986064.db2.gz MMUIAZULWQQRKI-UHFFFAOYSA-N 0 3 425.576 6.377 1 0 IKAFHN Cc1c(COc2cccc(F)c2F)oc2cccc(OCCCNCc3cccnc3)c12 ZINC000013438507 562986088 /nfs/dbraw/zinc/98/60/88/562986088.db2.gz TTWYRLBZSORCIS-UHFFFAOYSA-N 0 3 438.474 5.552 1 0 IKAFHN CSc1ccc([C@@H](CN2CCCC2)N(C)C(=O)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000013446444 562986977 /nfs/dbraw/zinc/98/69/77/562986977.db2.gz BHKMFILYWFYRAV-OAQYLSRUSA-N 0 3 437.436 5.553 1 0 IKAFHN CCN(CC)CCCOc1ccc(S(=O)(=O)c2c(C(C)C)cn3ccccc23)cc1 ZINC000013451417 562987387 /nfs/dbraw/zinc/98/73/87/562987387.db2.gz ZOVYEGQWXPIAQZ-UHFFFAOYSA-N 0 3 428.598 5.006 1 0 IKAFHN CC(=O)C1(c2ccccc2)CCN(CCCC[C@]23CCCc4cccc(c42)NC3=O)CC1 ZINC000013473708 562988429 /nfs/dbraw/zinc/98/84/29/562988429.db2.gz XHJNHSYVMPSXGH-NDEPHWFRSA-N 0 3 430.592 5.006 1 0 IKAFHN O=C(Nc1ccc2n[nH]cc2c1)Nc1ccccc1CN1CCC(Cc2ccccc2)CC1 ZINC000013475750 562988967 /nfs/dbraw/zinc/98/89/67/562988967.db2.gz HOSIRHWCFKBJCG-UHFFFAOYSA-N 0 3 439.563 5.662 1 0 IKAFHN O=C(Nc1ccc2c[nH]nc2c1)Nc1ccccc1CN1CCC(Cc2ccccc2)CC1 ZINC000013475752 562989001 /nfs/dbraw/zinc/98/90/01/562989001.db2.gz CVKJENRAWSRXRF-UHFFFAOYSA-N 0 3 439.563 5.662 1 0 IKAFHN O=C(NC1CCN(CC2=CCCCCCC2)CC1)C1c2ccccc2Oc2ccccc21 ZINC000013477051 562989053 /nfs/dbraw/zinc/98/90/53/562989053.db2.gz FBOGHLFSMLTHAN-UHFFFAOYSA-N 0 3 430.592 5.785 1 0 IKAFHN CC(C)(C)c1cc(CNCc2cccc(NC(=N)c3cccs3)c2)cc(C(C)(C)C)c1O ZINC000013487051 562989336 /nfs/dbraw/zinc/98/93/36/562989336.db2.gz BWMPLHAVBZBXKV-UHFFFAOYSA-N 0 3 449.664 6.776 1 0 IKAFHN CC(C)Oc1c(Cl)cc(Cl)cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487765 562989617 /nfs/dbraw/zinc/98/96/17/562989617.db2.gz COXDQZQMNBNSOJ-UHFFFAOYSA-N 0 3 434.367 5.626 1 0 IKAFHN Cc1cc2c(cccc2OC[C@@H](O)CN2CCC(c3cc4cc(F)ccc4s3)CC2)[nH]1 ZINC000013490100 562990153 /nfs/dbraw/zinc/99/01/53/562990153.db2.gz WPCKJGIJFBQUPQ-FQEVSTJZSA-N 0 3 438.568 5.449 1 0 IKAFHN O[C@H](COc1cccc2[nH]ccc21)CN1CCC(c2cc3cc(Cl)ccc3s2)CC1 ZINC000013490092 562990159 /nfs/dbraw/zinc/99/01/59/562990159.db2.gz XMUUFPCCGUSKJS-IBGZPJMESA-N 0 3 440.996 5.655 1 0 IKAFHN Cc1cc2c(cccc2OC[C@@H](O)CN2CCC(c3cc4ccc(F)cc4s3)CC2)[nH]1 ZINC000013490101 562990177 /nfs/dbraw/zinc/99/01/77/562990177.db2.gz BAWIIQXSRNFJHB-FQEVSTJZSA-N 0 3 438.568 5.449 1 0 IKAFHN OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000013553174 562992806 /nfs/dbraw/zinc/99/28/06/562992806.db2.gz OQNPTSUNKXNSTK-UHFFFAOYSA-N 0 3 437.811 5.861 1 0 IKAFHN Cc1cc2c(cccc2OC[C@@H](O)CN2CC[C@@H](c3cc4ccc(C)cc4s3)C[C@@H]2C)[nH]1 ZINC000013587192 562995571 /nfs/dbraw/zinc/99/55/71/562995571.db2.gz WRENRCOEWVZIAB-NNWRFLSQSA-N 0 3 448.632 6.007 1 0 IKAFHN CCCN(Cc1sc(Nc2c(C)cc(C)cc2Cl)nc1C(F)(F)F)CC1CC1 ZINC000013587339 562995635 /nfs/dbraw/zinc/99/56/35/562995635.db2.gz LJDBHBOGOHCXJR-UHFFFAOYSA-N 0 3 431.955 6.798 1 0 IKAFHN CN(Cc1ccc(COC(=O)[C@](O)(c2ccccc2)C2CCCCC2)o1)C1CCCCC1 ZINC000013602056 562996889 /nfs/dbraw/zinc/99/68/89/562996889.db2.gz SUMSQYYVIYCYJK-MHZLTWQESA-N 0 3 439.596 5.555 1 0 IKAFHN Cc1c2cc(O)ccc2n(CCCCCCNCc2ccccn2)c1-c1ccc(O)cc1 ZINC000013649984 562998991 /nfs/dbraw/zinc/99/89/91/562998991.db2.gz UZBJAVHINGOFTD-UHFFFAOYSA-N 0 3 429.564 5.773 1 0 IKAFHN Cc1c2cc(O)ccc2n(CCCCCCCNCc2ccccn2)c1-c1ccc(O)cc1 ZINC000013649985 562999009 /nfs/dbraw/zinc/99/90/09/562999009.db2.gz ADSSDIRHRGTJOC-UHFFFAOYSA-N 0 3 443.591 6.163 1 0 IKAFHN CCCN1CCC(=O)N([C@H](CSc2ccc(Br)cc2)c2ccccc2)CC1 ZINC000013661674 562999818 /nfs/dbraw/zinc/99/98/18/562999818.db2.gz OZCKZSBDMAXLIS-OAQYLSRUSA-N 0 3 447.442 5.227 3 0 IKAFHN O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1ccccc1)CC2 ZINC000013737849 563002730 /nfs/dbraw/zinc/00/27/30/563002730.db2.gz NAMSGSSCIKIOGU-UHFFFAOYSA-N 0 3 438.615 6.124 1 0 IKAFHN Cc1ccnc(N2CCN(CCc3c4cccc5c4n(c3-c3ccccc3)CCC5)CC2)c1 ZINC000013740413 563003001 /nfs/dbraw/zinc/00/30/01/563003001.db2.gz IIRNIZBILWYFCZ-UHFFFAOYSA-N 0 3 436.603 5.323 1 0 IKAFHN CCCC[C@H]1CCc2cccc3c(CCN4CCN(c5cc(C)ccn5)CC4)c(C)n1c32 ZINC000013740441 563003037 /nfs/dbraw/zinc/00/30/37/563003037.db2.gz FGEJWVXINYCXIR-DEOSSOPVSA-N 0 3 430.640 5.695 1 0 IKAFHN Cc1ccc(SC[C@@H](CN(C)C)C(=O)c2ccc(OCc3ccccc3)cc2)cc1C ZINC000013741936 563003303 /nfs/dbraw/zinc/00/33/03/563003303.db2.gz JAWVVQKVYZUJTE-XMMPIXPASA-N 0 3 433.617 6.035 1 0 IKAFHN Cc1cc(C)cc(CO[C@@H]2C3CCN(CC3)[C@H]2[C@@H](Cc2ccccc2)c2ccccc2)c1 ZINC000013744542 563003788 /nfs/dbraw/zinc/00/37/88/563003788.db2.gz IGJOBCGNZPJBJN-OIFRRMEBSA-N 0 3 425.616 6.309 1 0 IKAFHN Cc1cccc(C(=O)Nc2ccc(C(=O)N3CCC[C@@H](N(C)C)c4ccccc43)cc2)c1 ZINC000013757963 563004630 /nfs/dbraw/zinc/00/46/30/563004630.db2.gz LJSUKZDREGZECP-XMMPIXPASA-N 0 3 427.548 5.291 1 0 IKAFHN O=C1N(CCCCN2CCN(c3csc4ccccc43)CC2)CSC12CCCCC2 ZINC000013759434 563004783 /nfs/dbraw/zinc/00/47/83/563004783.db2.gz BQVJCBCVOOWLFV-UHFFFAOYSA-N 0 3 443.682 5.039 1 0 IKAFHN O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2c3ccccc3[nH]c2[C@H]1CN1CCCC1 ZINC000013823981 563010381 /nfs/dbraw/zinc/01/03/81/563010381.db2.gz SNEYMUAQCKBVHQ-JOCHJYFZSA-N 0 3 442.390 5.239 1 0 IKAFHN O=C(c1c2ccccc2sc1-c1ccccc1)c1ccc(OCCN2CCCCC2)cc1 ZINC000013834281 563012001 /nfs/dbraw/zinc/01/20/01/563012001.db2.gz OYJDQSXEKOWLQF-UHFFFAOYSA-N 0 3 441.596 6.664 1 0 IKAFHN O=C(NC1CCN(Cc2ccc3ccccc3c2)CC1)C1c2ccccc2Oc2ccccc21 ZINC000013862615 563013083 /nfs/dbraw/zinc/01/30/83/563013083.db2.gz KBWHPZXDEAFLDF-UHFFFAOYSA-N 0 3 448.566 5.858 1 0 IKAFHN Nc1nc2cc(Oc3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)ccc2[nH]1 ZINC000014965584 563016417 /nfs/dbraw/zinc/01/64/17/563016417.db2.gz GKOMRRDSXJXWIK-UHFFFAOYSA-N 0 3 445.376 5.739 1 0 IKAFHN CC(C)c1ccccc1N1CCN(CCCCCC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000014975978 563016878 /nfs/dbraw/zinc/01/68/78/563016878.db2.gz CPWLTNLRAGBWKJ-MHZLTWQESA-N 0 3 447.667 5.686 1 0 IKAFHN CCCc1ccccc1N1CCN(CCCCCC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000014975960 563016923 /nfs/dbraw/zinc/01/69/23/563016923.db2.gz IIEKSILFYZPUHU-HHHXNRCGSA-N 0 3 447.667 5.515 1 0 IKAFHN CCc1ccccc1N1CCN(CCCCCC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000014975951 563016929 /nfs/dbraw/zinc/01/69/29/563016929.db2.gz VCNZQKOEJRCPML-AREMUKBSSA-N 0 3 433.640 5.125 1 0 IKAFHN CSc1ccc(-c2sc([N-]c3cccc4ccccc43)n[n+]2-c2ccccc2)cc1 ZINC000015936849 563019091 /nfs/dbraw/zinc/01/90/91/563019091.db2.gz GMOMQYXQGOMJEO-UHFFFAOYSA-N 0 3 426.590 6.706 3 0 IKAFHN Cc1ccc(CN(CCN2CCN(CCCc3ccccc3)CC2)c2ccccc2)cc1 ZINC000022925676 563025951 /nfs/dbraw/zinc/02/59/51/563025951.db2.gz UKQOAOAUEQYBDV-UHFFFAOYSA-N 0 3 427.636 5.252 1 0 IKAFHN O[C@@H](CCCN1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccccc1)c1ccc(F)cc1 ZINC000026179026 563029552 /nfs/dbraw/zinc/02/95/52/563029552.db2.gz VCHSYIPRDSWSPA-OIKPOIBNSA-N 0 3 434.530 5.788 1 0 IKAFHN Oc1ccc2c(c1)sc(C1CCCC1)c2Cc1ccc(OCCN2CCCCC2)cc1 ZINC000026178139 563029557 /nfs/dbraw/zinc/02/95/57/563029557.db2.gz GCRDKSGKSQLPDO-UHFFFAOYSA-N 0 3 435.633 6.720 1 0 IKAFHN C[C@@H](CCCNc1ccnc2cc(Cl)ccc21)CNc1ccnc2cc(Cl)ccc21 ZINC000026184404 563029735 /nfs/dbraw/zinc/02/97/35/563029735.db2.gz VJRBAYYYVIPGOD-INIZCTEOSA-N 0 3 439.390 7.030 1 0 IKAFHN CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](c2nc(-c3ccc(Br)cc3)no2)C1 ZINC000026183024 563029751 /nfs/dbraw/zinc/02/97/51/563029751.db2.gz VGTHXWPAVSKNJJ-ZWKOTPCHSA-N 0 3 432.749 5.355 1 0 IKAFHN C[C@H](CCCNc1ccnc2cc(Cl)ccc21)CNc1ccnc2cc(Cl)ccc21 ZINC000026184409 563029758 /nfs/dbraw/zinc/02/97/58/563029758.db2.gz VJRBAYYYVIPGOD-MRXNPFEDSA-N 0 3 439.390 7.030 1 0 IKAFHN COc1ccc(/C=C/CCN2CC[C@@H]3[C@@H](C2)c2cc(F)ccc2N3c2ccc(F)cc2)cc1 ZINC000026186704 563029876 /nfs/dbraw/zinc/02/98/76/563029876.db2.gz FUEFSRJCHZYCGE-DHVBHTJXSA-N 0 3 446.541 6.387 1 0 IKAFHN CC(=O)NCCCCCCCN1CC[C@@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1 ZINC000026254390 563030182 /nfs/dbraw/zinc/03/01/82/563030182.db2.gz YPOQGLRHFMTALJ-AOYPEHQESA-N 0 3 441.566 5.361 1 0 IKAFHN Fc1ccc(C(OCCN2CCC(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1 ZINC000026473499 563032142 /nfs/dbraw/zinc/03/21/42/563032142.db2.gz VMIZSAUBUHOYHI-UHFFFAOYSA-N 0 3 449.585 6.806 1 0 in-vivo IKAFHN CC/C(=C(/c1ccc(OCCN(C)C)cc1)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000026568735 563033270 /nfs/dbraw/zinc/03/32/70/563033270.db2.gz GQOPYPFDMRFHBS-CYYJNZCTSA-N 0 3 449.616 5.400 1 0 IKAFHN Oc1ccc2c(c1)S[C@H](c1ccccc1)[C@@H](c1ccc(OCCN3CCCCC3)cc1)O2 ZINC000026651321 563034574 /nfs/dbraw/zinc/03/45/74/563034574.db2.gz WGDOPZQMRJSAPD-KAYWLYCHSA-N 0 3 447.600 6.224 1 0 IKAFHN COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N2C ZINC000027214046 563041030 /nfs/dbraw/zinc/04/10/30/563041030.db2.gz XTEKMJCKVNQZRJ-JSXRDJHFSA-N 0 3 434.363 5.124 1 0 IKAFHN CCc1cccc(NC(=N)Nc2cc(Br)cc(CC)c2Br)c1 ZINC000027426303 563042182 /nfs/dbraw/zinc/04/21/82/563042182.db2.gz BFIBUWWXAFZFRZ-UHFFFAOYSA-N 0 3 425.168 5.795 1 0 IKAFHN FC(F)(F)c1cc(CO[C@H]2C3CCN(CC3)[C@H]2Cc2ccccc2)cc(C(F)(F)F)c1 ZINC000027546615 563043467 /nfs/dbraw/zinc/04/34/67/563043467.db2.gz JOTMNMNWQYWMOE-SFTDATJTSA-N 0 3 443.431 5.946 1 0 IKAFHN O=C(c1ccco1)N(c1cnc2ccccc2c1)C1CCN(CCc2ccccc2)CC1 ZINC000027746210 563046701 /nfs/dbraw/zinc/04/67/01/563046701.db2.gz CGZPYHDNAHEROS-UHFFFAOYSA-N 0 3 425.532 5.182 1 0 IKAFHN O=C(Nc1cccc(C(F)(F)F)c1)NC1CCN(CCc2c[nH]c3ccccc23)CC1 ZINC000027983534 563048629 /nfs/dbraw/zinc/04/86/29/563048629.db2.gz UTWJONJXKWAHFG-UHFFFAOYSA-N 0 3 430.474 5.015 1 0 IKAFHN CSc1sc(C(=N)N)cc1-c1csc(Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000028009073 563049544 /nfs/dbraw/zinc/04/95/44/563049544.db2.gz XRCYOZWXVWETRK-UHFFFAOYSA-N 0 3 438.603 6.413 1 0 IKAFHN CC(C)c1ccccc1O[C@H](CCN1CCC(n2c3ccccc3[nH]c2=O)CC1)C(C)C ZINC000028352370 563053204 /nfs/dbraw/zinc/05/32/04/563053204.db2.gz DCYSPNIVUPHBEY-RUZDIDTESA-N 0 3 435.612 5.584 1 0 IKAFHN O=C1[C@H](c2ccc(Cl)c(Cl)c2)CC=CCN1[C@H](CN1CCCC1)c1ccccc1 ZINC000028374065 563053862 /nfs/dbraw/zinc/05/38/62/563053862.db2.gz DVTNAPPKBSPOMR-NZQKXSOJSA-N 0 3 429.391 5.703 1 0 IKAFHN CCNC(=O)c1ccc(C(C2=CN(O)C=CC2)=C2C[C@H]3CC[C@@H](C2)N3Cc2ccoc2)cc1 ZINC000028390235 563054394 /nfs/dbraw/zinc/05/43/94/563054394.db2.gz TWDRRHBIWWRVDM-PLQXJYEYSA-N 0 3 445.563 5.102 1 0 IKAFHN O=C1[C@@H](c2ccc(C(F)(F)F)cc2)CC=CCN1[C@H](CN1CCCC1)c1ccccc1 ZINC000028455820 563054671 /nfs/dbraw/zinc/05/46/71/563054671.db2.gz ASGNSBZVWDMQMJ-DHIUTWEWSA-N 0 3 428.498 5.415 1 0 IKAFHN O=C(Nc1ccccc1NC(=O)C1CCCCC1)OCC1CCN(c2ccncc2)CC1 ZINC000028524283 563056448 /nfs/dbraw/zinc/05/64/48/563056448.db2.gz UMJACBNOUZRGJO-UHFFFAOYSA-N 0 3 436.556 5.066 1 0 IKAFHN O=C(CCCN1CCN(c2ccc(F)cc2)CC1)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000028647173 563060871 /nfs/dbraw/zinc/06/08/71/563060871.db2.gz DCGMAIJUGRBTDA-UHFFFAOYSA-N 0 3 444.765 5.327 1 0 IKAFHN O=C(Nc1ccc(F)c(Cl)c1)N(CCN1CCCC1)[C@H]1CC=C(c2ccc[nH]2)CC1 ZINC000028650214 563061040 /nfs/dbraw/zinc/06/10/40/563061040.db2.gz COSMCCAKONHKTJ-IBGZPJMESA-N 0 3 430.955 5.373 1 0 IKAFHN Cc1cc2c(cc1[N-]S(=O)(=O)c1ccc(-c3ccc(Cl)cc3)cc1)CC[N@H+](C)CC2 ZINC000028704219 563061776 /nfs/dbraw/zinc/06/17/76/563061776.db2.gz YRLIAFPIEWQNDG-UHFFFAOYSA-N 0 3 440.996 5.147 1 0 IKAFHN Cc1cc2c(cc1[N-]S(=O)(=O)c1ccc(-c3ccc(Cl)cc3)cc1)CC[N@@H+](C)CC2 ZINC000028704219 563061778 /nfs/dbraw/zinc/06/17/78/563061778.db2.gz YRLIAFPIEWQNDG-UHFFFAOYSA-N 0 3 440.996 5.147 1 0 IKAFHN O=C(Nc1cccc(OC(F)(F)F)c1)NC1CCN(CC2=CCCCCCC2)CC1 ZINC000028708489 563062301 /nfs/dbraw/zinc/06/23/01/563062301.db2.gz XNJIFOSYEDGRKU-UHFFFAOYSA-N 0 3 425.495 5.452 1 0 IKAFHN CC1(C)[C@@H]2C[C@H]1C(CN1CCC(NC(=O)Nc3cc(C(F)(F)F)ccc3F)CC1)=CC2 ZINC000028708712 563062403 /nfs/dbraw/zinc/06/24/03/563062403.db2.gz ZSRCUUFHASKDTD-YJBOKZPZSA-N 0 3 439.497 5.423 1 0 IKAFHN CC1(C)[C@@H]2C[C@H]1C(CN1CCC(NC(=O)Nc3cncc(-c4ccsc4)c3)CC1)=CC2 ZINC000028708696 563062421 /nfs/dbraw/zinc/06/24/21/563062421.db2.gz VVANDXIOQZSNSW-REWPJTCUSA-N 0 3 436.625 5.388 1 0 IKAFHN COc1cc2cc(-c3ccc(CN(C)Cc4ccc(C)cc4)cc3)c(=O)oc2cc1OC ZINC000028710690 563062574 /nfs/dbraw/zinc/06/25/74/563062574.db2.gz RNNHOLLWKOWGSG-UHFFFAOYSA-N 0 3 429.516 5.418 1 0 IKAFHN CC(C)C(=O)Nc1cccc(C2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)c1 ZINC000028710575 563062591 /nfs/dbraw/zinc/06/25/91/563062591.db2.gz SYTDFMKLDHALDH-UHFFFAOYSA-N 0 3 428.576 6.453 1 0 IKAFHN COc1cccc(CN(C)Cc2ccc(-c3cc4cc(OC)c(OC)cc4oc3=O)cc2)c1 ZINC000028710693 563062640 /nfs/dbraw/zinc/06/26/40/563062640.db2.gz UIALHYCUMNMDDP-UHFFFAOYSA-N 0 3 445.515 5.118 1 0 IKAFHN Brc1cccc(/C=C/c2sc([N-]c3ccccc3)n[n+]2-c2ccccc2)c1 ZINC000028712442 563063008 /nfs/dbraw/zinc/06/30/08/563063008.db2.gz KSUSFXCSSHYNKN-CCEZHUSRSA-N 0 3 435.370 6.096 1 0 IKAFHN CCN(CC)C(=O)c1ccc([C@H](c2ccccc2)N(CCN(C)C)Cc2ccccc2)cc1 ZINC000028762633 563063856 /nfs/dbraw/zinc/06/38/56/563063856.db2.gz CLUPMQGKRZBFDZ-NDEPHWFRSA-N 0 3 443.635 5.322 1 0 IKAFHN CCN(CC)C(=O)c1ccc([C@@H](c2ccccc2)N(CCN(C)C)Cc2ccccc2)cc1 ZINC000028762635 563063913 /nfs/dbraw/zinc/06/39/13/563063913.db2.gz CLUPMQGKRZBFDZ-MUUNZHRXSA-N 0 3 443.635 5.322 1 0 IKAFHN CC(=O)c1c(=O)n(CCCN(C)C)nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1 ZINC000028772302 563064457 /nfs/dbraw/zinc/06/44/57/563064457.db2.gz IVIIXWLQQWDRGY-UHFFFAOYSA-N 0 3 444.362 5.038 1 0 IKAFHN COc1ccc(N2Cc3cc(Cl)c(Cl)cc3C2=O)cc1OCCN1CCC(C)CC1 ZINC000028819794 563065137 /nfs/dbraw/zinc/06/51/37/563065137.db2.gz DOLGNZVJVHFJNZ-UHFFFAOYSA-N 0 3 449.378 5.273 1 0 IKAFHN COc1ccc(N2C(=O)c3c(cccc3Cl)[C@@H]2C)cc1OCCN1CCC(C)CC1 ZINC000028819764 563065172 /nfs/dbraw/zinc/06/51/72/563065172.db2.gz MPRNTKMGUHUBMV-KRWDZBQOSA-N 0 3 428.960 5.181 1 0 IKAFHN C[C@H](CO)NCc1ccc(CN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)cc1 ZINC000028821667 563065446 /nfs/dbraw/zinc/06/54/46/563065446.db2.gz XLBZAYNWHDBFKB-MRXNPFEDSA-N 0 3 444.522 5.979 1 0 IKAFHN COc1ccc(-c2ccc(CNC(=O)NC3CCN(Cc4ccc(C)cc4)CC3)cc2)cc1 ZINC000028874111 563067580 /nfs/dbraw/zinc/06/75/80/563067580.db2.gz HTDUIVZICSSZOP-UHFFFAOYSA-N 0 3 443.591 5.134 1 0 IKAFHN COc1ccc([C@H]2CN(C)Cc3cc(OCCCN4CCC(F)CC4)ccc32)cc1Cl ZINC000028893026 563068590 /nfs/dbraw/zinc/06/85/90/563068590.db2.gz WWSHLNJFRHBFML-HSZRJFAPSA-N 0 3 446.994 5.129 1 0 IKAFHN COc1ccc([C@@H]2CN(C)Cc3cc(OCCCN4CCC(F)CC4)ccc32)cc1Cl ZINC000028893018 563068610 /nfs/dbraw/zinc/06/86/10/563068610.db2.gz WWSHLNJFRHBFML-QHCPKHFHSA-N 0 3 446.994 5.129 1 0 IKAFHN CC1(C)[C@@H]2C[C@H]1C(CN1CCC(Nc3nc4c(cccc4Br)s3)CC1)=CC2 ZINC000028957190 563070439 /nfs/dbraw/zinc/07/04/39/563070439.db2.gz MGNYUTNGVMPMAW-RDJZCZTQSA-N 0 3 446.458 5.928 1 0 IKAFHN CN(C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(NC2CCCC2)n1 ZINC000028963540 563070879 /nfs/dbraw/zinc/07/08/79/563070879.db2.gz CZSWJDCPUDLFCC-UHFFFAOYSA-N 0 3 430.531 5.014 1 0 IKAFHN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2N[C@H]1CCCc2ccccc21 ZINC000029042803 563072229 /nfs/dbraw/zinc/07/22/29/563072229.db2.gz RPWRCPNRVFIHNA-DQEYMECFSA-N 0 3 440.631 6.927 1 0 IKAFHN CC[C@@]1(CCCCN2CCN(c3ccc(Cl)cc3)CC2)c2cc(Cl)ccc2NC1=O ZINC000029052509 563073043 /nfs/dbraw/zinc/07/30/43/563073043.db2.gz DHGGOBPBRRSUQD-XMMPIXPASA-N 0 3 446.422 5.586 1 0 IKAFHN O[C@@H](CCN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 ZINC000029056362 563073408 /nfs/dbraw/zinc/07/34/08/563073408.db2.gz GAKAYJNKCDLKCE-KCHLEUMXSA-N 0 3 444.594 5.230 1 0 in-vivo IKAFHN O=C(NC1CCN(Cc2ccc3cc(F)ccc3c2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000029123736 563073982 /nfs/dbraw/zinc/07/39/82/563073982.db2.gz UKWKEYSXRSOPMT-UHFFFAOYSA-N 0 3 438.546 6.040 1 0 IKAFHN CN(C)CCOc1ccc([C@]2(c3ccccc3)[C@@H](c3ccccc3)C2(Cl)Cl)cc1 ZINC000029406392 563079554 /nfs/dbraw/zinc/07/95/54/563079554.db2.gz IDPUGYXWCKNQJB-DNQXCXABSA-N 0 3 426.387 5.884 1 0 IKAFHN Cc1cc(Br)c([O-])c(-c2[nH]c3ccc(C(N)=[NH2+])cc3c2CCc2ccccc2)c1 ZINC000029484397 563081305 /nfs/dbraw/zinc/08/13/05/563081305.db2.gz RBTVVKRGZONLEY-UHFFFAOYSA-N 0 3 448.364 5.681 1 0 IKAFHN COc1cccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccccc3)CC2)c1 ZINC000029563265 563082382 /nfs/dbraw/zinc/08/23/82/563082382.db2.gz SYFBGZRZCGJUEH-UHFFFAOYSA-N 0 3 440.591 5.212 1 0 IKAFHN CCn1c2ccccc2nc1N(Cc1ccccc1)C1CCN(CCc2ccccc2)CC1 ZINC000029567306 563082661 /nfs/dbraw/zinc/08/26/61/563082661.db2.gz MDDAUMFFPCLRQD-UHFFFAOYSA-N 0 3 438.619 5.770 1 0 IKAFHN COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccccc3)CC2)cc1 ZINC000029568596 563082831 /nfs/dbraw/zinc/08/28/31/563082831.db2.gz GIYFBXCUCPHTPT-UHFFFAOYSA-N 0 3 440.591 5.212 1 0 IKAFHN C[C@@H](c1ccc(F)cc1)n1c2ccccc2nc1NC1CCN(CCc2ccccc2)CC1 ZINC000029569222 563082971 /nfs/dbraw/zinc/08/29/71/563082971.db2.gz ZJCNMXJGFOYQRQ-NRFANRHFSA-N 0 3 442.582 5.904 1 0 IKAFHN Fc1ccc(Cn2c3cc(F)ccc3nc2NC2CCN(CCc3ccccc3)CC2)cc1 ZINC000029569549 563082974 /nfs/dbraw/zinc/08/29/74/563082974.db2.gz NSXAHZBPUKVOSP-UHFFFAOYSA-N 0 3 446.545 5.482 1 0 IKAFHN Fc1ccc(Cn2c3ccc(F)cc3nc2NC2CCN(CCc3ccccc3)CC2)cc1 ZINC000029571891 563083056 /nfs/dbraw/zinc/08/30/56/563083056.db2.gz HGWKTVUBSUHVSG-UHFFFAOYSA-N 0 3 446.545 5.482 1 0 IKAFHN Nc1cc(C2CCCCC2)nc2ccc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)cc12 ZINC000034271358 563085939 /nfs/dbraw/zinc/08/59/39/563085939.db2.gz HUBNHNXKNZPWEP-MDWZMJQESA-N 0 3 439.481 6.535 1 0 IKAFHN CCCc1cc(N)c2cc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ccc2n1 ZINC000034376844 563086198 /nfs/dbraw/zinc/08/61/98/563086198.db2.gz RHMZTDUJISCDBB-UHFFFAOYSA-N 0 3 449.476 6.708 1 0 IKAFHN FC(F)(F)c1cccc(N2CCN(CCCCNc3ncc(-c4ccccc4)o3)CC2)c1 ZINC000034636853 563086679 /nfs/dbraw/zinc/08/66/79/563086679.db2.gz HXSZWCAHOHIEOA-UHFFFAOYSA-N 0 3 444.501 5.375 1 0 IKAFHN FC(F)(F)c1cccc(N2CCN(CCCCNc3ccc4ccccc4n3)CC2)c1 ZINC000035880231 563090257 /nfs/dbraw/zinc/09/02/57/563090257.db2.gz AMDRAFDQLSKJMW-UHFFFAOYSA-N 0 3 428.502 5.268 1 0 IKAFHN CN(C)Cc1ccc2c(c1)CC[C@H](N(C)C(=O)c1ccc(-c3ccc(Cl)cc3)nc1)C2 ZINC000036126703 563091160 /nfs/dbraw/zinc/09/11/60/563091160.db2.gz NYUKWJXYAADYOO-DEOSSOPVSA-N 0 3 433.983 5.093 1 0 IKAFHN Cc1ccc(Oc2ccc3c(c2)occ(-c2ccc(N4CC[C@@H](N(C)C)C4)nc2)c3=O)cc1 ZINC000036351537 563093265 /nfs/dbraw/zinc/09/32/65/563093265.db2.gz UUDYITTYWHKWMB-HXUWFJFHSA-N 0 3 441.531 5.096 1 0 IKAFHN CCc1ccc(-c2ccc3c(c2)occ(-c2ccc(N4CC[C@@H](N(C)C)C4)nc2)c3=O)cc1 ZINC000036351621 563093375 /nfs/dbraw/zinc/09/33/75/563093375.db2.gz KHZXHCLAAWWJGQ-HSZRJFAPSA-N 0 3 439.559 5.225 1 0 IKAFHN C[C@@H](N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(Cl)c1)c1cccc2ccccc21 ZINC000036476089 563095542 /nfs/dbraw/zinc/09/55/42/563095542.db2.gz ZHUPEKHGIMUOGO-UOKFIYJESA-N 0 3 443.012 5.434 1 0 IKAFHN CN(C)Cc1ccc2c(c1)CC[C@H](N(C)C(=O)c1ccc(-c3ccc(Cl)cn3)cc1)C2 ZINC000038149877 563096635 /nfs/dbraw/zinc/09/66/35/563096635.db2.gz DLOFFPHEWSEQCT-DEOSSOPVSA-N 0 3 433.983 5.093 1 0 IKAFHN OC1(c2ccccc2)CCN(CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1 ZINC000038309856 563097426 /nfs/dbraw/zinc/09/74/26/563097426.db2.gz SUNOKJAPKRXALX-UHFFFAOYSA-N 0 3 446.572 5.451 1 0 IKAFHN CCC(CC)c1cc([C@H]2CN3CC[C@H]2C[C@@H]3CNCc2ccco2)nc(-c2ccncc2)n1 ZINC000039960758 563099310 /nfs/dbraw/zinc/09/93/10/563099310.db2.gz MAGGUFQJITXTJX-ZDXQCDESSA-N 0 3 445.611 5.003 1 0 IKAFHN O=C1C[C@H](CN2CCC(c3noc4cc(F)ccc43)CC2)Cc2oc(-c3ccccc3)cc21 ZINC000040391681 563099883 /nfs/dbraw/zinc/09/98/83/563099883.db2.gz VMIRJSPUFWFFPK-KRWDZBQOSA-N 0 3 444.506 5.852 1 0 IKAFHN CC(C)N1CCN(Cc2cc(Nc3ccnc4cc(Cl)ccc43)ccc2Cl)CC1 ZINC000040405807 563101291 /nfs/dbraw/zinc/10/12/91/563101291.db2.gz WEVWEYJRYRWKRU-UHFFFAOYSA-N 0 3 429.395 5.811 1 0 IKAFHN O=C1Cc2ccccc2N1Cc1ccc(CN2CCN(c3cccc4ccccc43)CC2)cc1 ZINC000040422720 563102520 /nfs/dbraw/zinc/10/25/20/563102520.db2.gz HKGRPZCFNRUNDH-UHFFFAOYSA-N 0 3 447.582 5.251 1 0 IKAFHN O=C1N=C(NC2CCCCC2)C2(CCN(Cc3ccccc3)CC2)N1c1cccc(F)c1 ZINC000040429942 563103241 /nfs/dbraw/zinc/10/32/41/563103241.db2.gz PLPAEWRELXZNRK-UHFFFAOYSA-N 0 3 434.559 5.121 1 0 IKAFHN OC[C@H](N[C@]1(c2ccccc2)c2ccccc2C[C@H]1Cc1ccccc1)[C@H](O)c1ccccc1 ZINC000040527610 563104496 /nfs/dbraw/zinc/10/44/96/563104496.db2.gz YCEGDEQDUXNFIY-KWBMWPQYSA-N 0 3 449.594 5.029 1 0 IKAFHN COc1ccc(C2=C(C)CN(c3ccc(Cl)cc3)C2=O)cc1OCCN1CCCCC1 ZINC000040812409 563106871 /nfs/dbraw/zinc/10/68/71/563106871.db2.gz FATUSYRTNMACEF-UHFFFAOYSA-N 0 3 440.971 5.034 1 0 IKAFHN CN(C)CCOc1ccc2c(=O)cc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)oc2c1 ZINC000040846003 563107444 /nfs/dbraw/zinc/10/74/44/563107444.db2.gz JUNKWHWNYQNRQC-UHFFFAOYSA-N 0 3 437.580 5.701 1 0 IKAFHN Cc1cc(OC(F)(F)F)ccc1N1CCc2c1nccc2-n1ccc(-c2nccs2)n1 ZINC000040860808 563108032 /nfs/dbraw/zinc/10/80/32/563108032.db2.gz FIUZUYYVNFIDRD-UHFFFAOYSA-N 0 3 443.454 5.292 1 0 IKAFHN COc1ccccc1N1CCc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2C1=O ZINC000040861160 563108091 /nfs/dbraw/zinc/10/80/91/563108091.db2.gz LVTHXSQLBBBEBH-UHFFFAOYSA-N 0 3 442.346 5.034 1 0 IKAFHN Cc1c(CNC2CCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040892463 563110112 /nfs/dbraw/zinc/11/01/12/563110112.db2.gz AFZGUFJUAJQREI-UHFFFAOYSA-N 0 3 434.798 6.840 1 0 IKAFHN COc1cc2c(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)[C@@](C)(C(F)(F)F)CCC2 ZINC000040918927 563111938 /nfs/dbraw/zinc/11/19/38/563111938.db2.gz PRBFCWQZDUFTDN-XWGVYQGASA-N 0 3 432.530 5.434 1 0 IKAFHN COc1cc2c(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)[C@](C)(C(F)(F)F)CCC2 ZINC000040918928 563111973 /nfs/dbraw/zinc/11/19/73/563111973.db2.gz PRBFCWQZDUFTDN-OEMFJLHTSA-N 0 3 432.530 5.434 1 0 IKAFHN c1c2ccc(C3=NCCN3)cc2oc1-c1cccc(OCCCCOc2ccccc2)c1 ZINC000042989798 563116375 /nfs/dbraw/zinc/11/63/75/563116375.db2.gz NIWJTABDRTVEBM-UHFFFAOYSA-N 0 3 426.516 5.688 1 0 IKAFHN c1c2ccc(C3=NCCN3)cc2oc1-c1ccc(OCCCCCOc2ccccc2)cc1 ZINC000043013909 563116766 /nfs/dbraw/zinc/11/67/66/563116766.db2.gz ORNLLEBFNJTTNB-UHFFFAOYSA-N 0 3 440.543 6.078 1 0 IKAFHN CCn1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000043123508 563119082 /nfs/dbraw/zinc/11/90/82/563119082.db2.gz ZKQDFEQENOGYCU-UHFFFAOYSA-N 0 3 448.825 7.229 1 0 IKAFHN c1ccc2[nH]c(-c3ccc(-c4ccc(CN5CCN(c6ccncc6)CC5)cc4)cc3)nc2c1 ZINC000045166975 563122237 /nfs/dbraw/zinc/12/22/37/563122237.db2.gz HPPGPWDMRXHJGL-UHFFFAOYSA-N 0 3 445.570 5.614 1 0 IKAFHN COc1ccc(CNCc2cccc(-c3cccc(-c4nc5c(cccc5C)[nH]4)c3)c2)cc1 ZINC000045167874 563122480 /nfs/dbraw/zinc/12/24/80/563122480.db2.gz GEJRBXXEAGGDRF-UHFFFAOYSA-N 0 3 433.555 6.504 1 0 IKAFHN COc1ccc(CNCc2cccc(-c3cccc(-c4nc5cccc(C)c5[nH]4)c3)c2)cc1 ZINC000045167874 563122481 /nfs/dbraw/zinc/12/24/81/563122481.db2.gz GEJRBXXEAGGDRF-UHFFFAOYSA-N 0 3 433.555 6.504 1 0 IKAFHN COc1ccc(CNCc2ccc(-c3cccc(-c4nc5c(cccc5C)[nH]4)c3)cc2)cc1 ZINC000045186554 563122790 /nfs/dbraw/zinc/12/27/90/563122790.db2.gz MLYOFCMWHXKZJH-UHFFFAOYSA-N 0 3 433.555 6.504 1 0 IKAFHN COc1ccc(CNCc2ccc(-c3cccc(-c4nc5cccc(C)c5[nH]4)c3)cc2)cc1 ZINC000045186554 563122791 /nfs/dbraw/zinc/12/27/91/563122791.db2.gz MLYOFCMWHXKZJH-UHFFFAOYSA-N 0 3 433.555 6.504 1 0 IKAFHN CN(C)Cc1ccc(-c2ccc3c(c2)nccc3Nc2ccc(Oc3ccccc3)cc2)o1 ZINC000045190285 563123460 /nfs/dbraw/zinc/12/34/60/563123460.db2.gz DQJITXIHHXSGPQ-UHFFFAOYSA-N 0 3 435.527 7.092 1 0 IKAFHN CCc1ccc(CN2CC[C@H](CNC(=O)c3cc(-c4cccc(Cl)c4)cs3)C2)cc1 ZINC000045201627 563124780 /nfs/dbraw/zinc/12/47/80/563124780.db2.gz UPYRRKVDGCFLHC-HXUWFJFHSA-N 0 3 439.024 5.883 1 0 IKAFHN CCN1CC[C@@]2(c3cccc(OC)c3)Cc3nc4ccccc4c(-c4ccccc4)c3C[C@@H]2C1 ZINC000045226856 563125403 /nfs/dbraw/zinc/12/54/03/563125403.db2.gz UEGULVGUPOVLGQ-XJFCNFDWSA-N 0 3 448.610 6.289 1 0 IKAFHN COc1ccc(CNCc2ccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)cc3)cc2)cc1 ZINC000045228035 563125608 /nfs/dbraw/zinc/12/56/08/563125608.db2.gz CZTLSSJLYRKOJJ-UHFFFAOYSA-N 0 3 437.518 6.334 1 0 IKAFHN CCc1ccc(NC(=O)c2ccc(CN3CCCN(Cc4cccs4)CC3)cc2)cc1 ZINC000045228222 563125639 /nfs/dbraw/zinc/12/56/39/563125639.db2.gz BQPRVTGUDSOZIP-UHFFFAOYSA-N 0 3 433.621 5.271 1 0 IKAFHN c1ccc2[nH]c(-c3ccc(-c4cccc(CN5CCN(c6ccncc6)CC5)c4)cc3)nc2c1 ZINC000045229814 563126024 /nfs/dbraw/zinc/12/60/24/563126024.db2.gz HRXFDAHXKLLPMG-UHFFFAOYSA-N 0 3 445.570 5.614 1 0 IKAFHN CCc1ccc(CN2CC[C@@H](CNC(=O)c3cc(-c4ccccc4Cl)cs3)C2)cc1 ZINC000045316897 563129950 /nfs/dbraw/zinc/12/99/50/563129950.db2.gz JXKHYNWAUUPXPT-FQEVSTJZSA-N 0 3 439.024 5.883 1 0 IKAFHN CCc1ccc(CN2CC[C@H](CNC(=O)c3cc(-c4ccccc4Cl)cs3)C2)cc1 ZINC000045316892 563129991 /nfs/dbraw/zinc/12/99/91/563129991.db2.gz JXKHYNWAUUPXPT-HXUWFJFHSA-N 0 3 439.024 5.883 1 0 IKAFHN O=C(Nc1ccc(OC2CCN(Cc3ccccc3)CC2)c(Cl)c1)c1ccsc1 ZINC000045322732 563130590 /nfs/dbraw/zinc/13/05/90/563130590.db2.gz QSAUXZCNWRZLCV-UHFFFAOYSA-N 0 3 426.969 5.697 1 0 IKAFHN Cc1cnc(-c2ccc(NC(=O)c3coc4ccc(N5C[C@H](C)N(C)[C@@H](C)C5)cc34)cc2)o1 ZINC000045323397 563130621 /nfs/dbraw/zinc/13/06/21/563130621.db2.gz IYQODWQEDAWPIT-IRXDYDNUSA-N 0 3 444.535 5.177 1 0 IKAFHN CN1CCC(C(=O)Nc2cccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)cc3)c2)CC1 ZINC000045323382 563130670 /nfs/dbraw/zinc/13/06/70/563130670.db2.gz BUXIFRZRAPYNIB-UHFFFAOYSA-N 0 3 428.511 5.316 1 0 IKAFHN CCCCCN1CCN(Cc2cccc(NC(=O)c3ccc(Cl)c(Cl)c3)c2)CC1 ZINC000045324545 563130867 /nfs/dbraw/zinc/13/08/67/563130867.db2.gz ZFIHVUKKUSLARK-UHFFFAOYSA-N 0 3 434.411 5.554 1 0 IKAFHN Nc1cccc(CNCc2ccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)s3)cc2)c1 ZINC000045334453 563131102 /nfs/dbraw/zinc/13/11/02/563131102.db2.gz IOXRHMIIDQOCMJ-UHFFFAOYSA-N 0 3 428.536 5.970 1 0 IKAFHN CSc1ccc(CN2CC[C@H](CNC(=O)c3cc(-c4ccccc4F)cs3)C2)cc1 ZINC000045335377 563131241 /nfs/dbraw/zinc/13/12/41/563131241.db2.gz UQGIMHSSUUVPFC-GOSISDBHSA-N 0 3 440.609 5.528 1 0 IKAFHN CC(=O)N(C)[C@H]1CCN(Cc2ccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)s3)cc2)C1 ZINC000045335344 563131281 /nfs/dbraw/zinc/13/12/81/563131281.db2.gz ZTBJTWFEVISZIS-FQEVSTJZSA-N 0 3 448.567 5.150 1 0 IKAFHN Cc1cc2nc(-c3cccc(C(=O)NC4CCN(Cc5ccccc5)CC4)c3)[nH]c2cc1C ZINC000045335367 563131283 /nfs/dbraw/zinc/13/12/83/563131283.db2.gz LKLAWFVLGQJXOR-UHFFFAOYSA-N 0 3 438.575 5.241 1 0 IKAFHN O=C1[N-]C(=O)C(=CNc2ccc(C[NH+]3CCCCC3)cc2)c2cc(-c3ccccc3)ccc21 ZINC000045497581 563134489 /nfs/dbraw/zinc/13/44/89/563134489.db2.gz PEOQCICSSJXJHR-ITYLOYPMSA-N 0 3 437.543 5.063 1 0 IKAFHN COc1ccc(CC2CCN(C[C@H](O)COc3cccc4[nH]c5ccccc5c43)CC2)cc1 ZINC000049035194 563136213 /nfs/dbraw/zinc/13/62/13/563136213.db2.gz GYVPBQWEZRVOPO-QFIPXVFZSA-N 0 3 444.575 5.024 1 0 IKAFHN COC(=O)C1N=C1/C=C\CCCCCCCCCC=C(Br)Br ZINC000053214143 563141309 /nfs/dbraw/zinc/14/13/09/563141309.db2.gz KUIICVNFNJTIGS-DMIOIOJGSA-N 0 3 435.200 5.681 1 0 IKAFHN CCCc1nc(-c2ccccc2)c(CNCCCN2CCN(c3ccc(C)c(C)c3)CC2)o1 ZINC000053296932 563141929 /nfs/dbraw/zinc/14/19/29/563141929.db2.gz RIVFPMOSCDGBFW-UHFFFAOYSA-N 0 3 446.639 5.213 1 0 IKAFHN O=c1c(CN[C@H](CO)CC2CCCCC2)coc2cccc(OCC3CCCCC3)c12 ZINC000053298305 563141989 /nfs/dbraw/zinc/14/19/89/563141989.db2.gz ZHMNEHUEHZCUSB-QFIPXVFZSA-N 0 3 427.585 5.173 1 0 IKAFHN O=S(=O)(Cc1cc(Cl)cc(Cl)c1)NC[C@H](c1ccccc1)N1CCCCCC1 ZINC000058506674 563143810 /nfs/dbraw/zinc/14/38/10/563143810.db2.gz GIMVWSSMBYUNSF-OAQYLSRUSA-N 0 3 441.424 5.030 1 0 IKAFHN C[C@H]1CN(Cc2ccccc2)CCN1[C@H](c1ccc(C(C)(C)C)cc1)c1cccc(O)c1 ZINC000058519763 563143863 /nfs/dbraw/zinc/14/38/63/563143863.db2.gz AHXMJVFHPCQZOY-RBISFHTESA-N 0 3 428.620 5.985 1 0 IKAFHN COc1ccc(N2c3ccccc3CN(Cc3ccccc3)[C@@H](C)[C@H]2Cc2cccnc2)cc1 ZINC000061921048 563149145 /nfs/dbraw/zinc/14/91/45/563149145.db2.gz ANHLRXSRCGGNSH-YUDQIZAISA-N 0 3 449.598 6.244 3 0 IKAFHN COc1ccc(-c2sc3ccccc3c2-c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000061947940 563151572 /nfs/dbraw/zinc/15/15/72/563151572.db2.gz UGVXVOZDLQHNQK-UHFFFAOYSA-N 0 3 443.612 7.109 3 0 IKAFHN CC(C)(C)CCN1CCC2(CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1=O ZINC000064503690 563153859 /nfs/dbraw/zinc/15/38/59/563153859.db2.gz HTULTBXWDOJTNX-UHFFFAOYSA-N 0 3 440.578 5.805 1 0 IKAFHN COc1ccccc1-c1cn2c(n1)nc(C)c(CN)c2-c1c(Cl)cc(Cl)cc1Cl ZINC000064528421 563154868 /nfs/dbraw/zinc/15/48/68/563154868.db2.gz KFUGVEHCEVBFRK-UHFFFAOYSA-N 0 3 447.753 5.799 1 0 IKAFHN Cc1cc(C)c(-c2ccc3c(c2)[C@@H](N2CCN(C)CC2)Cc2ccccc2S3)c(C)c1 ZINC000064549324 563155720 /nfs/dbraw/zinc/15/57/20/563155720.db2.gz XNFVTFMFMPGVGG-VWLOTQADSA-N 0 3 428.645 6.275 1 0 IKAFHN COc1ccc(CN2CCC(CCC(=O)c3cc4ccn5c4c(c3)CCC5=O)CC2)cc1 ZINC000066101731 563158391 /nfs/dbraw/zinc/15/83/91/563158391.db2.gz YPTZNQZPLHCHTB-UHFFFAOYSA-N 0 3 430.548 5.111 1 0 IKAFHN OC1(c2ccc(C(F)(F)F)c(Cl)c2)CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000066261924 563160788 /nfs/dbraw/zinc/16/07/88/563160788.db2.gz GJKZIYHJRDDOOV-UHFFFAOYSA-N 0 3 443.896 6.412 1 0 IKAFHN CC(C)Oc1ccc([C@@H](NC2CCN(C(=O)Nc3ccccc3)CC2)c2cccnc2)cc1 ZINC000072102360 563162821 /nfs/dbraw/zinc/16/28/21/563162821.db2.gz DBDXGSSJPKYVCO-AREMUKBSSA-N 0 3 444.579 5.244 1 0 IKAFHN Brc1ccccc1-c1nc(CNCC(c2ccccc2)c2ccccc2)co1 ZINC000072142832 563164851 /nfs/dbraw/zinc/16/48/51/563164851.db2.gz ZQTNVKOBHSMQRK-UHFFFAOYSA-N 0 3 433.349 6.026 1 0 IKAFHN CCCN1CCc2cccc3c2[C@@H]1Cc1cccc(OC(=O)Nc2cccc4ccccc42)c1-3 ZINC000072176063 563165499 /nfs/dbraw/zinc/16/54/99/563165499.db2.gz GSEIFCYYFLMJKI-SANMLTNESA-N 0 3 448.566 6.983 1 0 IKAFHN CCN(Cc1coc(-c2ccc(C(F)(F)F)cc2)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000072182100 563167344 /nfs/dbraw/zinc/16/73/44/563167344.db2.gz AGRBAIWRSFYYIK-JOCHJYFZSA-N 0 3 429.486 5.457 1 0 IKAFHN CCCCC[C@H](C)NCc1coc(-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)n1 ZINC000072184970 563167950 /nfs/dbraw/zinc/16/79/50/563167950.db2.gz JVRPGOWYIPUHKF-KRWDZBQOSA-N 0 3 447.406 7.286 1 0 IKAFHN Fc1cc(Cl)ccc1N1CCC(N[C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 ZINC000072186466 563168281 /nfs/dbraw/zinc/16/82/81/563168281.db2.gz JLLMEXHLPNTIKG-HSZRJFAPSA-N 0 3 430.354 5.876 1 0 IKAFHN COc1cc(-c2nc(CNCC(c3ccccc3)c3ccccc3)co2)cc(OC)c1OC ZINC000072186381 563168298 /nfs/dbraw/zinc/16/82/98/563168298.db2.gz RIPYUXFUPBTPSM-UHFFFAOYSA-N 0 3 444.531 5.289 1 0 IKAFHN CC(C)c1c(OC[C@H](O)CNCc2ccccc2)ccc2c1CC[C@H]1C(C)(C)CCC[C@]21C ZINC000073198206 563169995 /nfs/dbraw/zinc/16/99/95/563169995.db2.gz MWMMCUURYAJKBS-VTTCDHFQSA-N 0 3 449.679 6.370 1 0 IKAFHN Cc1ccc(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OCCN(C)C ZINC000073222490 563170692 /nfs/dbraw/zinc/17/06/92/563170692.db2.gz CTKIYVFEDVETGX-UHFFFAOYSA-N 0 3 449.395 5.617 1 0 IKAFHN CCCCN1C[C@H](C(=O)OC2CCCCC2)C[C@H]2c3cccc4c3c(cn4C(C)C)C[C@H]21 ZINC000078159335 563172887 /nfs/dbraw/zinc/17/28/87/563172887.db2.gz ONLUPAGVWPDBBI-LJGDZFJRSA-N 0 3 436.640 6.228 1 0 IKAFHN COc1cc(OC)cc(-c2ccc(Cc3cn(Cc4cc(F)cc(F)c4)c(N)n3)cc2)c1 ZINC000082157907 563173762 /nfs/dbraw/zinc/17/37/62/563173762.db2.gz ORBISPNVMHCAMB-UHFFFAOYSA-N 0 3 435.474 5.067 1 0 IKAFHN c1ccc2oc(-c3ccc(OCCCNc4c5ccccc5nc5c4CCCC5)cc3)nc2c1 ZINC000084616509 563174322 /nfs/dbraw/zinc/17/43/22/563174322.db2.gz NKOMTERCWGMQCG-UHFFFAOYSA-N 0 3 449.554 6.803 1 0 IKAFHN O=C(N[C@H]1CC[C@H]2CN(Cc3ccccc3F)C[C@H]21)C(C1CCCCC1)C1CCCCC1 ZINC000084652301 563174953 /nfs/dbraw/zinc/17/49/53/563174953.db2.gz JLXXCLSUOAQVBS-FBILRYNDSA-N 0 3 440.647 5.929 1 0 IKAFHN Cc1c(NC(=O)c2ccc(OCC3CC3)cc2)ccc2cc([C@@H](C)N3CCCCC3)cnc21 ZINC000084705133 563176714 /nfs/dbraw/zinc/17/67/14/563176714.db2.gz RJUBOKLKRKNIFB-HXUWFJFHSA-N 0 3 443.591 6.131 1 0 IKAFHN O=C(Nc1ccccc1N1CCNCC1)c1csc(-c2ccc(-c3ccccc3)s2)n1 ZINC000084704638 563176733 /nfs/dbraw/zinc/17/67/33/563176733.db2.gz LPCLJEBTYGLTNV-UHFFFAOYSA-N 0 3 446.601 5.201 1 0 IKAFHN C[C@H](c1ccccn1)N1CCC2(CC1)c1ccccc1N(c1cnc3ccccc3c1)C2=O ZINC000084706009 563176951 /nfs/dbraw/zinc/17/69/51/563176951.db2.gz OAICMHUBSGRQPL-HXUWFJFHSA-N 0 3 434.543 5.403 1 0 IKAFHN Cc1cccnc1CN1CCC2(CC1)c1ccccc1N(c1cnc3ccccc3c1)C2=O ZINC000084723387 563178014 /nfs/dbraw/zinc/17/80/14/563178014.db2.gz QSLGMVJJZCKRSJ-UHFFFAOYSA-N 0 3 434.543 5.150 1 0 IKAFHN COc1ccc(-c2scc3c2C[C@H](OC)OC32CCN(Cc3ccccc3)CC2)cc1 ZINC000095552707 563180882 /nfs/dbraw/zinc/18/08/82/563180882.db2.gz AUFQIIRSCHGCMZ-XMMPIXPASA-N 0 3 435.589 5.460 1 0 IKAFHN CO[C@H]1Cc2c(csc2-c2ccc(C(C)=O)cc2)C2(CCN(Cc3ccccc3)CC2)O1 ZINC000095554491 563181194 /nfs/dbraw/zinc/18/11/94/563181194.db2.gz SYZBACAGEPWXAA-RUZDIDTESA-N 0 3 447.600 5.654 1 0 IKAFHN COc1ccc(-c2cc3c(s2)C[C@@H](OC)OC32CCN(Cc3ccccc3)CC2)cc1 ZINC000095554892 563181198 /nfs/dbraw/zinc/18/11/98/563181198.db2.gz VLCLAHWOFFEFJM-VWLOTQADSA-N 0 3 435.589 5.460 1 0 IKAFHN CO[C@@H]1Cc2c(csc2-c2ccc(C(C)=O)cc2)C2(CCN(Cc3ccccc3)CC2)O1 ZINC000095554490 563181242 /nfs/dbraw/zinc/18/12/42/563181242.db2.gz SYZBACAGEPWXAA-VWLOTQADSA-N 0 3 447.600 5.654 1 0 IKAFHN CN1CCN(CCc2ccc([C@@H](c3ccccc3)C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000095557797 563181699 /nfs/dbraw/zinc/18/16/99/563181699.db2.gz LYYKTBPUPZEIDM-PHPBTLJDSA-N 0 3 428.664 5.825 1 0 IKAFHN O=c1c(CN(CCO)CC2CCCCC2)coc2cccc(OCC3CCCCC3)c12 ZINC000095563206 563182849 /nfs/dbraw/zinc/18/28/49/563182849.db2.gz MHGTXKGCDDUMDE-UHFFFAOYSA-N 0 3 427.585 5.127 1 0 IKAFHN CN(C)CCOc1ccc(-c2nc(-c3ccc(F)c(Cl)c3)c(-c3ccncc3)[nH]2)cc1 ZINC000095589919 563189844 /nfs/dbraw/zinc/18/98/44/563189844.db2.gz VCKBXWWRSZEHIZ-UHFFFAOYSA-N 0 3 436.918 5.539 1 0 IKAFHN CN(C)CCOc1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)c(Cl)c3)[nH]2)cc1 ZINC000095589919 563189845 /nfs/dbraw/zinc/18/98/45/563189845.db2.gz VCKBXWWRSZEHIZ-UHFFFAOYSA-N 0 3 436.918 5.539 1 0 IKAFHN O=C1OC2(CCN(Cc3ccccc3)CC2)c2csc(-c3cccc4ccccc43)c21 ZINC000095601399 563192788 /nfs/dbraw/zinc/19/27/88/563192788.db2.gz ZTFVDHZAPWPCOA-UHFFFAOYSA-N 0 3 425.553 6.230 1 0 IKAFHN COc1cc2c(c(OCCN3CCCC3)c1)[C@H](c1ccccc1)[C@@H](c1ccccc1)C2(C)C ZINC000095602972 563193290 /nfs/dbraw/zinc/19/32/90/563193290.db2.gz ROBNSHUFXNTSHF-LMSSTIIKSA-N 0 3 441.615 6.377 1 0 IKAFHN CN1CC[C@H](Oc2cc(NCc3ccccc3Br)ccc2C(F)(F)F)C1 ZINC000095604509 563193723 /nfs/dbraw/zinc/19/37/23/563193723.db2.gz KVPUYEWVBCFJKC-HNNXBMFYSA-N 0 3 429.280 5.163 1 0 IKAFHN CN(C)Cc1cccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccn23)c1 ZINC000096168191 563195230 /nfs/dbraw/zinc/19/52/30/563195230.db2.gz PRXXPQDARPITFQ-UHFFFAOYSA-N 0 3 435.531 5.499 1 0 IKAFHN Cc1cc(=O)oc2cc(OC/C=C/CN3CCC(c4noc5cc(F)ccc54)CC3)ccc12 ZINC000096929481 563198557 /nfs/dbraw/zinc/19/85/57/563198557.db2.gz YIIXRNABTOPDGG-NSCUHMNNSA-N 0 3 448.494 5.196 1 0 IKAFHN CN(C)CCOc1ccc(C(C)(C)C)cc1[C@]1(c2ccccc2)c2ccccc2NC1=O ZINC000096937524 563199570 /nfs/dbraw/zinc/19/95/70/563199570.db2.gz ONFHKJAAGMXMDK-NDEPHWFRSA-N 0 3 428.576 5.211 1 0 IKAFHN Fc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(OCCN4CCCCC4)cc3)[nH]2)cc1 ZINC000098082751 563200619 /nfs/dbraw/zinc/20/06/19/563200619.db2.gz FLRJDNNKJDNARH-UHFFFAOYSA-N 0 3 441.550 6.415 1 0 IKAFHN Fc1ccc(-c2nc(-c3ccc(OCCN4CCCCC4)cc3)c(-c3ccccc3)[nH]2)cc1 ZINC000098082751 563200620 /nfs/dbraw/zinc/20/06/20/563200620.db2.gz FLRJDNNKJDNARH-UHFFFAOYSA-N 0 3 441.550 6.415 1 0 IKAFHN COc1ccc2c(c1)oc(Cc1ccc(Cl)cc1)c2-c1ccc(OCCN(C)C)cc1 ZINC000001539918 562922685 /nfs/dbraw/zinc/92/26/85/562922685.db2.gz RLYAFCYFYGRDNB-UHFFFAOYSA-N 0 3 435.951 6.293 1 0 IKAFHN COc1ccc2c(c1)O[C@@H](c1ccc(OCCN3CCCCC3)cc1)C(c1ccccc1)=C2 ZINC000002006073 562925519 /nfs/dbraw/zinc/92/55/19/562925519.db2.gz VMZKWNQITYDWEE-LJAQVGFWSA-N 0 3 441.571 6.234 1 0 IKAFHN Cc1ccc(O)c(NCCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1 ZINC000003783521 562937784 /nfs/dbraw/zinc/93/77/84/562937784.db2.gz QXYKMFRWHNXEMJ-UHFFFAOYSA-N 0 3 430.592 5.151 1 0 IKAFHN Cc1ccc2nc(Cl)c3cc(C(=O)NCCCN(C)Cc4ccccc4)sc3c2c1 ZINC000008599642 562954812 /nfs/dbraw/zinc/95/48/12/562954812.db2.gz SXGCYFDVCADQKO-UHFFFAOYSA-N 0 3 437.996 5.663 1 0 IKAFHN COC(=O)C1N=C1/C=C/CCCCCCCCCC=C(Br)Br ZINC000013366241 562985806 /nfs/dbraw/zinc/98/58/06/562985806.db2.gz KUIICVNFNJTIGS-TYZQSYOASA-N 0 3 435.200 5.681 1 0 IKAFHN COc1cc2[nH]c(-c3ccc4c(c3)[C@@H](N3CCCC3)CCO4)cc(=O)c2cc1-c1cnco1 ZINC000012354300 562981248 /nfs/dbraw/zinc/98/12/48/562981248.db2.gz SMWPCVXEONHYQE-QFIPXVFZSA-N 0 3 443.503 5.190 1 0 IKAFHN c1c(-c2ccccc2)noc1N(CCCN1CCCCC1)Cc1cccc2ccccc21 ZINC000013437427 562986050 /nfs/dbraw/zinc/98/60/50/562986050.db2.gz CJHZMMAGVXLITG-UHFFFAOYSA-N 0 3 425.576 6.377 1 0 IKAFHN N=C(N)c1cc(-c2nc(-c3ccc(Cl)cc3)cs2)c(SCc2ccccc2)s1 ZINC000013437919 562986083 /nfs/dbraw/zinc/98/60/83/562986083.db2.gz PDKZNOIFSOINJV-UHFFFAOYSA-N 0 3 442.034 6.768 1 0 IKAFHN CSc1ccc([C@@H]2Cc3c(cccc3C(F)(F)F)N(CCN(C)C)C(=O)[C@@H]2C)cc1 ZINC000013450728 562987303 /nfs/dbraw/zinc/98/73/03/562987303.db2.gz HYBPGPKSOHJLGG-CRAIPNDOSA-N 0 3 436.543 5.298 1 0 IKAFHN COc1ccc([C@@H]2Cc3c(cccc3C(F)(F)F)N(CCN(C)C(C)C)C(=O)[C@@H]2C)cc1 ZINC000013450814 562987334 /nfs/dbraw/zinc/98/73/34/562987334.db2.gz GBZUXDPXMPXSQT-YLJYHZDGSA-N 0 3 448.529 5.363 1 0 IKAFHN CN(C)Cc1ccc(CSCCCCCCCSCc2ccc(CN(C)C)o2)o1 ZINC000013452578 562987556 /nfs/dbraw/zinc/98/75/56/562987556.db2.gz NOWQNKKWTMXZLC-UHFFFAOYSA-N 0 3 438.703 6.113 1 0 IKAFHN COc1cc2c(cc1OC/C=C/CN1CCCC1)ncnc2Nc1ccc(Cl)cc1F ZINC000013472784 562988152 /nfs/dbraw/zinc/98/81/52/562988152.db2.gz BMEKKWWFQMYXPU-SNAWJCMRSA-N 0 3 442.922 5.205 1 0 IKAFHN O=C(Nc1ccccc1)Nc1cccc([C@H](O)CN2CCC(Cc3ccccc3)CC2)c1 ZINC000013475780 562988995 /nfs/dbraw/zinc/98/89/95/562988995.db2.gz OBHVQSQUOOYRGT-AREMUKBSSA-N 0 3 429.564 5.319 1 0 IKAFHN Oc1ccc([C@H]2CCc3cc(O)ccc3N2c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000013490114 562990193 /nfs/dbraw/zinc/99/01/93/562990193.db2.gz DYVRNYHOABJFGS-HHHXNRCGSA-N 0 3 444.575 5.788 1 0 IKAFHN Oc1ccc([C@@H]2CCc3cc(O)ccc3N2c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000013490113 562990234 /nfs/dbraw/zinc/99/02/34/562990234.db2.gz DYVRNYHOABJFGS-MHZLTWQESA-N 0 3 444.575 5.788 1 0 IKAFHN CCc1ccc2c(c1)[C@@H](c1ccc(OCCN3CCCCC3)cc1)Cc1cc(O)cc(C)c1-2 ZINC000013494073 562991015 /nfs/dbraw/zinc/99/10/15/562991015.db2.gz AVXFTHNOWJYYDE-MUUNZHRXSA-N 0 3 441.615 6.483 1 0 IKAFHN O=C(NCCCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1cc2ccccc2o1 ZINC000013525836 562991650 /nfs/dbraw/zinc/99/16/50/562991650.db2.gz IMEOUPAOCLGQOG-UHFFFAOYSA-N 0 3 446.378 5.072 1 0 IKAFHN C[C@@H]1C[C@H](c2cc3cc(F)ccc3s2)CCN1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000013535655 562992363 /nfs/dbraw/zinc/99/23/63/562992363.db2.gz VXBBUYIZAQUAJB-HLIPFELVSA-N 0 3 438.568 5.530 1 0 IKAFHN O=C1c2ccc(OCc3ccccn3)cc2CC[C@H]1CCN1CCC(c2ccccc2)CC1 ZINC000013588385 562996014 /nfs/dbraw/zinc/99/60/14/562996014.db2.gz ANPLKMIAFZFDGF-DEOSSOPVSA-N 0 3 440.587 5.675 1 0 IKAFHN O=C1c2ccc(OCc3ccccc3)cc2CC[C@@H]1CCN1CCC(c2ccccc2)CC1 ZINC000013588378 562996025 /nfs/dbraw/zinc/99/60/25/562996025.db2.gz CYZOBDVPCDGVGS-AREMUKBSSA-N 0 3 439.599 6.280 1 0 IKAFHN O=C1c2ccc(OCc3ccccc3)cc2CC[C@H]1CCN1CCC(c2ccccc2)CC1 ZINC000013588379 562996046 /nfs/dbraw/zinc/99/60/46/562996046.db2.gz CYZOBDVPCDGVGS-SANMLTNESA-N 0 3 439.599 6.280 1 0 IKAFHN CN(Cc1ccc(COC(=O)[C@@](O)(c2ccccc2)C2CCCCC2)o1)C1CCCCC1 ZINC000013602058 562996917 /nfs/dbraw/zinc/99/69/17/562996917.db2.gz SUMSQYYVIYCYJK-HHHXNRCGSA-N 0 3 439.596 5.555 1 0 IKAFHN CCN(CCCCCC[C@H]1Cc2cc(OC)c(OC)cc2C1=O)Cc1ccccc1OC ZINC000013738615 563002891 /nfs/dbraw/zinc/00/28/91/563002891.db2.gz AEFFXIUFESKRQO-FQEVSTJZSA-N 0 3 439.596 5.540 1 0 IKAFHN CC(C)=Cc1cc2c(CCN3CCN(c4cc(C)ccn4)CC3)c(C)n3c2c(c1)CCC3 ZINC000013740427 563003007 /nfs/dbraw/zinc/00/30/07/563003007.db2.gz WJCLFJBLCSSHIK-UHFFFAOYSA-N 0 3 428.624 5.387 1 0 IKAFHN COc1cccc2c1CCC[C@H]2CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000013740698 563003179 /nfs/dbraw/zinc/00/31/79/563003179.db2.gz SGNFTTRKPWKHRW-IBGZPJMESA-N 0 3 432.530 5.736 1 0 IKAFHN S=C(Nc1ccccc1)N[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 ZINC000013744560 563003840 /nfs/dbraw/zinc/00/38/40/563003840.db2.gz DVDRYWOHNCAVBU-UIOOFZCWSA-N 0 3 427.617 5.268 1 0 IKAFHN Fc1ccc(CN2CCC(CCO[C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000013760754 563004893 /nfs/dbraw/zinc/00/48/93/563004893.db2.gz LDIQWODSVBHRII-MHZLTWQESA-N 0 3 437.986 6.887 1 0 IKAFHN CN1CC[C@](O)(c2ccc(Cl)c(Cl)c2)[C@@H]([C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000013804573 563008320 /nfs/dbraw/zinc/00/83/20/563008320.db2.gz RRWQOIKRLCJAFP-VMDGZTHMSA-N 0 3 435.178 5.173 1 0 IKAFHN O=C(c1ccc(Br)cc1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1 ZINC000013817819 563009642 /nfs/dbraw/zinc/00/96/42/563009642.db2.gz DWNCOSUKQGWVJL-UHFFFAOYSA-N 0 3 449.392 5.761 1 0 IKAFHN O=C(NCCCCN1CCN(c2cccc3ccccc32)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000013824006 563010367 /nfs/dbraw/zinc/01/03/67/563010367.db2.gz SDFJEQNUYLCLFY-UHFFFAOYSA-N 0 3 445.651 5.075 1 0 IKAFHN C[N@@H+]1CCCC[C@@H]1CCc1cc(C(=O)Nc2ccc(-c3ccc(O)cc3)cc2)ccc1[O-] ZINC000013905910 563013954 /nfs/dbraw/zinc/01/39/54/563013954.db2.gz BPSJUELGMDRIEX-XMMPIXPASA-N 0 3 430.548 5.434 1 0 IKAFHN C[N@H+]1CCCC[C@@H]1CCc1cc(C(=O)Nc2ccc(-c3ccc(O)cc3)cc2)ccc1[O-] ZINC000013905910 563013956 /nfs/dbraw/zinc/01/39/56/563013956.db2.gz BPSJUELGMDRIEX-XMMPIXPASA-N 0 3 430.548 5.434 1 0 IKAFHN COc1cccc2c1c(OC)cc(C)c2-c1c(OC)cc(OC)c2c1C[C@H](C)N(C)[C@H]2C ZINC000014421116 563014506 /nfs/dbraw/zinc/01/45/06/563014506.db2.gz KKJVVBRCACGMIS-IRXDYDNUSA-N 0 3 435.564 5.787 1 0 IKAFHN COc1ccc(-c2sc([N-]c3ccccc3)n[n+]2-c2ccccc2)cc1Br ZINC000015936919 563019070 /nfs/dbraw/zinc/01/90/70/563019070.db2.gz SAYAUHGCFYKOIV-UHFFFAOYSA-N 0 3 439.358 5.602 3 0 IKAFHN C[C@@H]1c2cc(O)ccc2O[C@@H](c2ccc(OCCN3CCCC3)cc2)[C@H]1c1ccc(O)cc1 ZINC000016051697 563020752 /nfs/dbraw/zinc/02/07/52/563020752.db2.gz XPVKGTWRXBSJKO-LHXLBICKSA-N 0 3 445.559 5.593 1 0 in-vivo IKAFHN C[C@@H]1CN(CCOC(c2ccccc2)c2ccccc2)[C@@H](C)CN1C/C=C/c1ccccc1 ZINC000022938515 563026600 /nfs/dbraw/zinc/02/66/00/563026600.db2.gz NQBRJWVFVDOVMT-GIJMSBLHSA-N 0 3 440.631 5.901 1 0 IKAFHN CN1CCN(CCCOc2ccc(-c3nc4cc(C(C)(C)C)ccc4[nH]3)cc2Cl)CC1 ZINC000023361026 563027249 /nfs/dbraw/zinc/02/72/49/563027249.db2.gz HOGIQAJOASEATP-UHFFFAOYSA-N 0 3 441.019 5.197 1 0 IKAFHN CN1CCN(CCCOc2ccc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)cc2Cl)CC1 ZINC000023361026 563027250 /nfs/dbraw/zinc/02/72/50/563027250.db2.gz HOGIQAJOASEATP-UHFFFAOYSA-N 0 3 441.019 5.197 1 0 IKAFHN COc1cccc2c1C(CCCN1CCN(c3cccc(C(F)(F)F)c3)CC1)=CCC2 ZINC000025985548 563028088 /nfs/dbraw/zinc/02/80/88/563028088.db2.gz BKHFZQKDLQQYGU-UHFFFAOYSA-N 0 3 430.514 5.646 1 0 IKAFHN C[C@@H](NC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)c1cccc2ccccc21 ZINC000026154120 563029027 /nfs/dbraw/zinc/02/90/27/563029027.db2.gz JVELVBSSYRSDHV-ZJSXRUAMSA-N 0 3 444.600 5.080 1 0 IKAFHN C[C@H](NC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)c1cccc2ccccc21 ZINC000026154127 563029045 /nfs/dbraw/zinc/02/90/45/563029045.db2.gz JVELVBSSYRSDHV-XUZZJYLKSA-N 0 3 444.600 5.080 1 0 IKAFHN CCC(=O)N(c1ccccc1)C1(c2nc(C)c(C)s2)CCN(CCc2ccccc2)CC1 ZINC000026571350 563033335 /nfs/dbraw/zinc/03/33/35/563033335.db2.gz HSRXEKVCVWWTBN-UHFFFAOYSA-N 0 3 447.648 5.737 1 0 IKAFHN CC/C(=C(/c1ccc(OCCN(C)C)cc1)c1ccc([S@@](C)=O)cc1)c1ccccc1 ZINC000026570831 563033339 /nfs/dbraw/zinc/03/33/39/563033339.db2.gz JRYLBWPPXFCWGL-SZDFBCEPSA-N 0 3 433.617 5.734 1 0 IKAFHN CCC(=O)N(c1ccccc1F)C1(c2ccccc2)CCN(CCn2nc(C)cc2C)CC1 ZINC000026571347 563033350 /nfs/dbraw/zinc/03/33/50/563033350.db2.gz VPSBTNGWAWDYKJ-UHFFFAOYSA-N 0 3 448.586 5.074 1 0 IKAFHN CC/C(=C(/c1ccc(OCCN(C)C)cc1)c1ccc([S@](C)=O)cc1)c1ccccc1 ZINC000026570835 563033359 /nfs/dbraw/zinc/03/33/59/563033359.db2.gz JRYLBWPPXFCWGL-VTWRUHIJSA-N 0 3 433.617 5.734 1 0 IKAFHN Oc1ccc2c(c1)S[C@H](c1ccco1)[C@H](c1ccc(OCCN3CCCCC3)cc1)O2 ZINC000026571649 563033372 /nfs/dbraw/zinc/03/33/72/563033372.db2.gz LHVMXQSKFYKIGY-LOSJGSFVSA-N 0 3 437.561 5.817 1 0 IKAFHN COC(=O)[C@@H]1CCC[C@H](NCc2n[nH]c3cccc(OCc4ccc(C(C)(C)C)cc4)c23)C1 ZINC000026727630 563035821 /nfs/dbraw/zinc/03/58/21/563035821.db2.gz AGKXRBAYJBHVLK-CTNGQTDRSA-N 0 3 449.595 5.261 1 0 IKAFHN CCOC(=O)[C@H]1CCCN(Cc2[nH]nc3cccc(OCc4ccc(C(C)(C)C)cc4)c32)C1 ZINC000026731120 563035916 /nfs/dbraw/zinc/03/59/16/563035916.db2.gz OYUQYRJYOXLEBN-FQEVSTJZSA-N 0 3 449.595 5.215 1 0 IKAFHN CSc1cccc2c1CCN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]2CN1CCCC1 ZINC000026749599 563036497 /nfs/dbraw/zinc/03/64/97/563036497.db2.gz ZVPRPDZTSIAALA-OAQYLSRUSA-N 0 3 449.447 5.480 1 0 IKAFHN COc1ccc2c(c1)O[C@H](c1ccc(OCCN3CCCC3)cc1)[C@H](c1ccccc1)C2=O ZINC000026946143 563038082 /nfs/dbraw/zinc/03/80/82/563038082.db2.gz KQGPDKRGLZIJCH-IXCJQBJRSA-N 0 3 443.543 5.270 1 0 IKAFHN CCc1cccc(N(C)C(=N)Nc2cc(Br)cc(CC)c2Br)c1 ZINC000027430352 563042306 /nfs/dbraw/zinc/04/23/06/563042306.db2.gz JGJBVZUKTPGUPJ-UHFFFAOYSA-N 0 3 439.195 5.819 1 0 IKAFHN C[C@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@H](C)N1CCCc1ccccc1 ZINC000027518363 563042586 /nfs/dbraw/zinc/04/25/86/563042586.db2.gz KRUBQUVNIYCARV-SVBPBHIXSA-N 0 3 441.663 6.242 1 0 IKAFHN CN1c2ccccc2C(c2ccccc2F)=NC[C@H]1CNc1cccc(C(F)(F)F)c1 ZINC000027521704 563042761 /nfs/dbraw/zinc/04/27/61/563042761.db2.gz UCJYVPYJDOOMRP-GOSISDBHSA-N 0 3 427.445 5.612 1 0 IKAFHN O=C(N[C@@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1)c1ccccc1Cl ZINC000027638450 563044929 /nfs/dbraw/zinc/04/49/29/563044929.db2.gz YECFTEONBCBTGK-CLJLJLNGSA-N 0 3 430.979 5.365 1 0 IKAFHN COc1ccc2c(c1)[C@H](N(C)C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H](N1CCCC1)CC2 ZINC000027765648 563047079 /nfs/dbraw/zinc/04/70/79/563047079.db2.gz NCEQNECHXYMBIL-UPVQGACJSA-N 0 3 447.406 5.155 1 0 IKAFHN COc1cccc2c1CC[C@H](N1CCCC1)[C@H]2N(C)C(=O)Cc1cccc2ccccc21 ZINC000027854390 563047351 /nfs/dbraw/zinc/04/73/51/563047351.db2.gz WYQFDQLWSFMZNG-LSYYVWMOSA-N 0 3 428.576 5.001 1 0 IKAFHN COc1cccc2c1CC[C@H](N1CCCC1)[C@H]2N(C)C(=O)Cc1csc2ccccc12 ZINC000027858496 563047479 /nfs/dbraw/zinc/04/74/79/563047479.db2.gz SXVZSJXHXBDMQG-NVQXNPDNSA-N 0 3 434.605 5.063 1 0 IKAFHN CSc1sc(C(=N)N)cc1-c1csc(Nc2ccccc2Br)n1 ZINC000028008995 563049596 /nfs/dbraw/zinc/04/95/96/563049596.db2.gz AEBZRNXDNPAWQV-UHFFFAOYSA-N 0 3 425.402 5.384 1 0 IKAFHN Cc1ccc(Cl)c(O[C@@H](CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)c1 ZINC000028137881 563051589 /nfs/dbraw/zinc/05/15/89/563051589.db2.gz FFCBURJABQUALQ-QHCPKHFHSA-N 0 3 442.003 5.422 1 0 IKAFHN Cc1ccc(Cl)c(O[C@H](CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)c1 ZINC000028137873 563051666 /nfs/dbraw/zinc/05/16/66/563051666.db2.gz FFCBURJABQUALQ-HSZRJFAPSA-N 0 3 442.003 5.422 1 0 IKAFHN O=C1[C@H](Oc2ccc(Cl)c(Cl)c2)CC=CCN1[C@H](CN1CCCC1)c1ccccc1 ZINC000028372517 563053840 /nfs/dbraw/zinc/05/38/40/563053840.db2.gz XNHYWJKLNSIKRT-DHIUTWEWSA-N 0 3 445.390 5.366 1 0 IKAFHN O=C1[C@@H](Oc2ccc(Cl)c(Cl)c2)CC=CCN1[C@H](CN1CCCC1)c1ccccc1 ZINC000028372526 563053842 /nfs/dbraw/zinc/05/38/42/563053842.db2.gz XNHYWJKLNSIKRT-PKTZIBPZSA-N 0 3 445.390 5.366 1 0 IKAFHN CCNC(=O)c1ccc(C(c2ccccn2)=C2C[C@H]3CC[C@@H](C2)N3Cc2ccoc2)cc1 ZINC000028386154 563054288 /nfs/dbraw/zinc/05/42/88/563054288.db2.gz GOGHNXCDTHQGMK-PSWAGMNNSA-N 0 3 427.548 5.053 1 0 IKAFHN Cc1ccc(S(=O)(=O)n2cc([C@H]3CCN(Cc4ccccc4)C3)c3ccccc32)cc1 ZINC000028526106 563056886 /nfs/dbraw/zinc/05/68/86/563056886.db2.gz KADCFEDAPDSNRT-QFIPXVFZSA-N 0 3 430.573 5.176 1 0 IKAFHN Fc1ccc(CN2CCC(OC(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000028528090 563057194 /nfs/dbraw/zinc/05/71/94/563057194.db2.gz MZJQVPVZDHVOSS-UHFFFAOYSA-N 0 3 444.377 6.903 1 0 IKAFHN O=C(Nc1ccc(F)c(Cl)c1)N(CCN1CCCC1)[C@@H]1CC=C(c2ccco2)CC1 ZINC000028650227 563061031 /nfs/dbraw/zinc/06/10/31/563061031.db2.gz UAUSDCVOZKQEPQ-LJQANCHMSA-N 0 3 431.939 5.638 1 0 IKAFHN CCN(Cc1ccccc1)Cc1ccc(-c2cc3cc(OC)c(OC)cc3oc2=O)cc1 ZINC000028710695 563062656 /nfs/dbraw/zinc/06/26/56/563062656.db2.gz PNZIOQNBQOTGPK-UHFFFAOYSA-N 0 3 429.516 5.499 1 0 in-vivo IKAFHN COc1ccc(CN(C)Cc2ccc(-c3cc4cc(OC)c(OC)cc4oc3=O)cc2)cc1 ZINC000028710694 563062659 /nfs/dbraw/zinc/06/26/59/563062659.db2.gz HOAWDZNYQXALRG-UHFFFAOYSA-N 0 3 445.515 5.118 1 0 IKAFHN CCN1CCC[C@H](Cn2c(=O)c3cc(OC(F)(F)F)ccc3nc2-c2ccccc2C)C1 ZINC000028711888 563062800 /nfs/dbraw/zinc/06/28/00/563062800.db2.gz TYPWWUNYYCVRRR-KRWDZBQOSA-N 0 3 445.485 5.002 1 0 IKAFHN Brc1ccc(/C=C/c2sc([N-]c3ccccc3)n[n+]2-c2ccccc2)cc1 ZINC000028712434 563062993 /nfs/dbraw/zinc/06/29/93/563062993.db2.gz XCVUWWYWMKOLJA-DTQAZKPQSA-N 0 3 435.370 6.096 1 0 IKAFHN COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCCN1CCCC[C@@H]1C ZINC000028819841 563065271 /nfs/dbraw/zinc/06/52/71/563065271.db2.gz SEHYKDKJFNZRFG-HNNXBMFYSA-N 0 3 449.378 5.416 1 0 IKAFHN COc1ccc(N2Cc3ccc(Cl)c(Cl)c3C2=O)cc1OCCN1CCC(C)CC1 ZINC000028819803 563065276 /nfs/dbraw/zinc/06/52/76/563065276.db2.gz KNLMOIKUSVDDQM-UHFFFAOYSA-N 0 3 449.378 5.273 1 0 IKAFHN CC(C)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)C(C)C)ccn32)n1 ZINC000028822176 563065667 /nfs/dbraw/zinc/06/56/67/563065667.db2.gz RJQCSMMLKFIZOH-UHFFFAOYSA-N 0 3 432.547 5.258 1 0 IKAFHN CN(C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(NC2CCCCC2)n1 ZINC000028963566 563070861 /nfs/dbraw/zinc/07/08/61/563070861.db2.gz XOFCECRXLYMPDH-UHFFFAOYSA-N 0 3 444.558 5.404 1 0 IKAFHN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2N[C@H]1CCCc2ccccc21 ZINC000029042804 563072237 /nfs/dbraw/zinc/07/22/37/563072237.db2.gz RPWRCPNRVFIHNA-LOSJGSFVSA-N 0 3 440.631 6.927 1 0 IKAFHN CC[C@]1(CCCCCN2CCN(c3ccc(Cl)cc3)CC2)c2ccccc2NC1=O ZINC000029052992 563073215 /nfs/dbraw/zinc/07/32/15/563073215.db2.gz LLEDBTDMYSFCBM-VWLOTQADSA-N 0 3 426.004 5.323 1 0 IKAFHN CCc1cccc(CC)c1-c1cc(CC)c2c(n1)CCC[C@@H]2N(CC)Cc1ccccc1 ZINC000029054362 563073288 /nfs/dbraw/zinc/07/32/88/563073288.db2.gz KPVVYLNLPPTVJX-NDEPHWFRSA-N 0 3 426.648 7.335 1 0 IKAFHN CC[C@@]1(CCCCN2CCN(c3ccc(C)c(Cl)c3)CC2)c2ccccc2NC1=O ZINC000029054979 563073378 /nfs/dbraw/zinc/07/33/78/563073378.db2.gz WDKYMABIRCWBQO-RUZDIDTESA-N 0 3 426.004 5.241 1 0 IKAFHN CC[C@]1(CCCCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)c2ccccc2NC1=O ZINC000029054982 563073397 /nfs/dbraw/zinc/07/33/97/563073397.db2.gz TWNOAQCUHOXOHW-DEOSSOPVSA-N 0 3 446.422 5.586 1 0 IKAFHN CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)OCCC(c2ccccc2)c2ccccc2)C1 ZINC000029406536 563079508 /nfs/dbraw/zinc/07/95/08/563079508.db2.gz QZJCKWFHBYEESM-SXOMAYOGSA-N 0 3 448.006 6.141 1 0 IKAFHN CN(C)CCOc1ccc([C@@]2(c3ccccc3)[C@H](c3ccccc3)C2(Cl)Cl)cc1 ZINC000029406395 563079511 /nfs/dbraw/zinc/07/95/11/563079511.db2.gz IDPUGYXWCKNQJB-ZEQRLZLVSA-N 0 3 426.387 5.884 1 0 IKAFHN CN1CC[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)OCCC(c2ccccc2)c2ccccc2)C1 ZINC000029406533 563079525 /nfs/dbraw/zinc/07/95/25/563079525.db2.gz QZJCKWFHBYEESM-SVBPBHIXSA-N 0 3 448.006 6.141 1 0 IKAFHN Cc1cc(Br)c([O-])c(-c2[nH]c3ccc(C(N)=[NH2+])cc3c2Cc2ccccc2)c1 ZINC000029479084 563081069 /nfs/dbraw/zinc/08/10/69/563081069.db2.gz PTXZAYDCYHSSEH-UHFFFAOYSA-N 0 3 434.337 5.486 1 0 IKAFHN COc1ccc(CN[C@@H](CNC(=O)Nc2c(C(C)C)cccc2C(C)C)C(C)C)cc1 ZINC000029481361 563081119 /nfs/dbraw/zinc/08/11/19/563081119.db2.gz XAYNMCWPDATELQ-DEOSSOPVSA-N 0 3 425.617 5.878 1 0 IKAFHN c1ccc(Cn2c3ccccc3nc2NC2CCN(CCCOc3ccccc3)CC2)cc1 ZINC000029556685 563082116 /nfs/dbraw/zinc/08/21/16/563082116.db2.gz OSAAXPGWCYCFPB-UHFFFAOYSA-N 0 3 440.591 5.430 1 0 IKAFHN CC(C)N(Cc1ccccc1)C[C@H](O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1 ZINC000029559783 563082320 /nfs/dbraw/zinc/08/23/20/563082320.db2.gz WJLRKZLYCZXLCP-QHCPKHFHSA-N 0 3 443.543 5.110 1 0 IKAFHN Fc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccccc3)CC2)cc1 ZINC000029564189 563082473 /nfs/dbraw/zinc/08/24/73/563082473.db2.gz RGOUHJBKJSHGGJ-UHFFFAOYSA-N 0 3 428.555 5.343 1 0 IKAFHN CC(C)(C)C1(O)CCN(C[C@@H]2c3ccccc3CCc3ccc(Br)cc32)CC1 ZINC000033875351 563084979 /nfs/dbraw/zinc/08/49/79/563084979.db2.gz TZXGMZSFQAFIAT-HSZRJFAPSA-N 0 3 442.441 5.553 1 0 IKAFHN O=C1NC(c2ccccc2)(c2ccccc2)CN1[C@H]1CCCN(Cc2ccccc2)CC1 ZINC000034802145 563087594 /nfs/dbraw/zinc/08/75/94/563087594.db2.gz KVCMZPILKHYETB-SANMLTNESA-N 0 3 425.576 5.010 1 0 IKAFHN Cc1cccc(CN2CCC(N3CC(c4cccs4)(c4cccs4)NC3=O)CC2)c1 ZINC000034802132 563087641 /nfs/dbraw/zinc/08/76/41/563087641.db2.gz ZAACSVRUEKCICF-UHFFFAOYSA-N 0 3 437.634 5.051 1 0 IKAFHN CN(C)Cc1ccc(Nc2nc3ncnc(Nc4ccc(F)c(Cl)c4)c3s2)cc1 ZINC000034874838 563088329 /nfs/dbraw/zinc/08/83/29/563088329.db2.gz LURCBUMOAWQHLM-UHFFFAOYSA-N 0 3 428.924 5.428 1 0 IKAFHN CN(C)Cc1ccc2c(c1)CC[C@H](N(C)C(=O)c1ccc(-c3ccc(Cl)cc3)cn1)C2 ZINC000036126696 563091215 /nfs/dbraw/zinc/09/12/15/563091215.db2.gz JGTFYTXGSPCVDN-DEOSSOPVSA-N 0 3 433.983 5.093 1 0 IKAFHN CCN(CC)Cc1cnc2c(cccc2CNC(=O)c2ccc(-c3ccc(F)cc3)cc2)c1 ZINC000036270590 563092394 /nfs/dbraw/zinc/09/23/94/563092394.db2.gz NJDDKXJNJSUDSR-UHFFFAOYSA-N 0 3 441.550 5.813 1 0 IKAFHN CN(C)[C@@H]1CCN(c2ccc(-c3coc4cc(-c5ccc(Cl)cc5)ccc4c3=O)cn2)C1 ZINC000036351542 563093292 /nfs/dbraw/zinc/09/32/92/563093292.db2.gz WUOVBRPWEZTIPN-OAQYLSRUSA-N 0 3 445.950 5.316 1 0 IKAFHN COc1ccc(C(=O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000036351458 563093310 /nfs/dbraw/zinc/09/33/10/563093310.db2.gz TWIPPDALRSWINY-UHFFFAOYSA-N 0 3 443.587 5.306 1 0 IKAFHN CCCc1cc(N(C)C)c2cc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)ccc2n1 ZINC000036351927 563093499 /nfs/dbraw/zinc/09/34/99/563093499.db2.gz GNDQGVNJNAVFDD-MDWZMJQESA-N 0 3 427.470 5.924 1 0 IKAFHN COc1cc(CCNC(=O)c2ccc(-c3ccc(Cl)cc3)cc2)ccc1CN1CCCC1 ZINC000038841158 563098557 /nfs/dbraw/zinc/09/85/57/563098557.db2.gz XNXMRTHXJJWSOI-UHFFFAOYSA-N 0 3 448.994 5.584 1 0 IKAFHN Cc1c(CNC2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040394788 563100523 /nfs/dbraw/zinc/10/05/23/563100523.db2.gz YMZZWHSQURMSOE-UHFFFAOYSA-N 0 3 448.825 7.230 1 0 IKAFHN CN(CCCc1cn(-c2ccc(F)cc2)c2ccccc12)Cc1ccc(Cl)c(Cl)c1 ZINC000040413636 563101967 /nfs/dbraw/zinc/10/19/67/563101967.db2.gz WWMCFXGMXTVOPD-UHFFFAOYSA-N 0 3 441.377 7.141 1 0 IKAFHN Nc1ccc(/C=C/CN2CCN(CCCCn3c4ccccc4c4ccccc43)CC2)cc1 ZINC000040430222 563103361 /nfs/dbraw/zinc/10/33/61/563103361.db2.gz QTIFLUBZUBTKGL-BQYQJAHWSA-N 0 3 438.619 5.488 1 0 IKAFHN OC(c1ccc(F)cc1)(c1ccc(F)cc1)C1CCN(CCCNc2ccccc2)CC1 ZINC000040505971 563104294 /nfs/dbraw/zinc/10/42/94/563104294.db2.gz ZBEHCBPLDSYXEL-UHFFFAOYSA-N 0 3 436.546 5.415 1 0 IKAFHN CC(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000040566180 563104866 /nfs/dbraw/zinc/10/48/66/563104866.db2.gz RDTVWHAKESBWNU-IBGZPJMESA-N 0 3 446.435 5.717 1 0 IKAFHN COc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1OCCN1CCCCC1 ZINC000040567205 563105044 /nfs/dbraw/zinc/10/50/44/563105044.db2.gz UQKZWXZIVDUDJS-UHFFFAOYSA-N 0 3 430.548 5.479 1 0 IKAFHN c1cn2cc(-c3ccc(OCCN4CCCCC4)cc3)cnc2c1-c1ccnc2ccccc21 ZINC000040876677 563109508 /nfs/dbraw/zinc/10/95/08/563109508.db2.gz OQBUYVIUGHIPDS-UHFFFAOYSA-N 0 3 448.570 6.081 1 0 IKAFHN [O-]c1ccc(C2=C(c3ccc(OCC[NH+]4CCCC4)cc3)CCOc3cc(F)ccc32)cc1 ZINC000040915297 563111358 /nfs/dbraw/zinc/11/13/58/563111358.db2.gz IOVMPPWOKWVVJR-UHFFFAOYSA-N 0 3 445.534 5.748 1 0 IKAFHN CCCCN(CCCC)Cc1cc(Nc2ccnc3cc(Cl)ccc32)ccc1Cl ZINC000040952822 563114199 /nfs/dbraw/zinc/11/41/99/563114199.db2.gz XNMKOWKISXRIGP-UHFFFAOYSA-N 0 3 430.423 7.687 1 0 IKAFHN Oc1cccc(/C=C/CN2CCN(CCCCn3c4ccccc4c4ccccc43)CC2)c1 ZINC000040975414 563115312 /nfs/dbraw/zinc/11/53/12/563115312.db2.gz KYIMKWSWCPMOEY-CSKARUKUSA-N 0 3 439.603 5.611 1 0 IKAFHN Cn1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000043009846 563116413 /nfs/dbraw/zinc/11/64/13/563116413.db2.gz AXIPBUHREZEFKK-UHFFFAOYSA-N 0 3 434.798 6.747 1 0 IKAFHN CC(=O)N(C)[C@@H]1CCN(Cc2cccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)cc3)c2)C1 ZINC000045191578 563123788 /nfs/dbraw/zinc/12/37/88/563123788.db2.gz IKQCEUSIFNIATQ-XMMPIXPASA-N 0 3 442.538 5.089 1 0 IKAFHN O=C(Nc1cccc(CN2CCCN(Cc3ccc(O)cc3)CC2)c1)c1cccc(Cl)c1 ZINC000045195213 563124469 /nfs/dbraw/zinc/12/44/69/563124469.db2.gz GAPCBDLSTAUWTI-UHFFFAOYSA-N 0 3 449.982 5.006 1 0 IKAFHN c1ccc2[nH]c(-c3cccc(-c4ccc(CN5CCN(c6ccncc6)CC5)cc4)c3)nc2c1 ZINC000045201891 563124774 /nfs/dbraw/zinc/12/47/74/563124774.db2.gz JDDANCOTOCKOQX-UHFFFAOYSA-N 0 3 445.570 5.614 1 0 IKAFHN CN(C)Cc1ccc(-c2cccc(Nc3nccc(NC[C@@H](O)c4ccccc4)n3)c2)cc1 ZINC000045210937 563125339 /nfs/dbraw/zinc/12/53/39/563125339.db2.gz SQJDGKCCZDJNLE-RUZDIDTESA-N 0 3 439.563 5.094 1 0 IKAFHN CN1CCC(C(=O)Nc2cccc(-c3cccc(-c4nc5cc(F)ccc5[nH]4)c3)c2)CC1 ZINC000045227737 563125591 /nfs/dbraw/zinc/12/55/91/563125591.db2.gz VPSXKTBJTYCLEP-UHFFFAOYSA-N 0 3 428.511 5.316 1 0 IKAFHN CNc1ccc(CNCc2ccc(-c3ccc(-c4nc5c(cccc5C)[nH]4)cc3)cc2)cc1 ZINC000045228612 563125711 /nfs/dbraw/zinc/12/57/11/563125711.db2.gz JYQMREZYCDQXCW-UHFFFAOYSA-N 0 3 432.571 6.537 1 0 IKAFHN O=C(c1cc2c(s1)-c1cccc(Cl)c1SC2)N1CCN(c2ccncc2)CC1 ZINC000045229316 563125850 /nfs/dbraw/zinc/12/58/50/563125850.db2.gz YKSUODXGCQLTNR-UHFFFAOYSA-N 0 3 427.982 5.032 1 0 IKAFHN CCc1ccc(NC(=O)c2ccc(CN3CCCN(Cc4cccc(C)c4)CC3)cc2)cc1 ZINC000045229847 563125994 /nfs/dbraw/zinc/12/59/94/563125994.db2.gz IWWJZOAUUQPIOP-UHFFFAOYSA-N 0 3 441.619 5.518 1 0 IKAFHN CNc1ccc(CNCc2cccc(-c3ccc(-c4nc5c(cccc5C)[nH]4)s3)c2)cc1 ZINC000045230193 563126119 /nfs/dbraw/zinc/12/61/19/563126119.db2.gz JGWSHDVBNDTABE-UHFFFAOYSA-N 0 3 438.600 6.598 1 0 IKAFHN Cc1ccccc1C1=CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000045230181 563126125 /nfs/dbraw/zinc/12/61/25/563126125.db2.gz TUTDIKQOXCCQSB-UHFFFAOYSA-N 0 3 447.047 7.431 1 0 IKAFHN COc1cccc(CN2CCC3(CN(C(=O)Nc4ccc(Cl)c(Cl)c4)C3)CC2)c1 ZINC000045303014 563129696 /nfs/dbraw/zinc/12/96/96/563129696.db2.gz SESYAVRMJKBYJA-UHFFFAOYSA-N 0 3 434.367 5.132 1 0 IKAFHN COc1cccc(-c2csc(C(=O)NC[C@H]3CCN(Cc4ccc(C(C)C)cc4)C3)c2)c1 ZINC000045335390 563131302 /nfs/dbraw/zinc/13/13/02/563131302.db2.gz PVIYXJOTFNUKQR-OAQYLSRUSA-N 0 3 448.632 5.799 1 0 IKAFHN CSc1ccc(CN2CC[C@@H](CNC(=O)c3cc(-c4ccccc4F)cs3)C2)cc1 ZINC000045335380 563131307 /nfs/dbraw/zinc/13/13/07/563131307.db2.gz UQGIMHSSUUVPFC-SFHVURJKSA-N 0 3 440.609 5.528 1 0 IKAFHN O=C1c2cc([O-])ccc2-c2c1c1ccccc1nc2-c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000045352516 563132311 /nfs/dbraw/zinc/13/23/11/563132311.db2.gz JTIBJOVATWLCJC-UHFFFAOYSA-N 0 3 436.511 5.293 1 0 IKAFHN CN1[C@@H](CC(=O)c2ccccc2)CCC[C@H]1C[C@H](OC(=O)c1ccccc1)c1ccccc1 ZINC000045368119 563133229 /nfs/dbraw/zinc/13/32/29/563133229.db2.gz UHWKQTIBICJKFH-PBWSGDRGSA-N 0 3 441.571 6.101 1 0 IKAFHN CCN(CCCCCCN1C(=O)c2cccc3cccc(c32)C1=O)Cc1ccccc1OC ZINC000045497198 563134496 /nfs/dbraw/zinc/13/44/96/563134496.db2.gz DXPIHMLIHBJICH-UHFFFAOYSA-N 0 3 444.575 5.527 1 0 IKAFHN CCCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000049020460 563135599 /nfs/dbraw/zinc/13/55/99/563135599.db2.gz FWROZMQRBMGKLZ-UHFFFAOYSA-N 0 3 448.632 5.431 1 0 IKAFHN CCCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC[N@H+](Cc2ccccc2)CC3)cc1 ZINC000049020460 563135600 /nfs/dbraw/zinc/13/56/00/563135600.db2.gz FWROZMQRBMGKLZ-UHFFFAOYSA-N 0 3 448.632 5.431 1 0 IKAFHN CCCN(Cc1c(C(F)(F)F)nc2n1CCCN2c1c(C)cc(C)cc1C)CC1CC1 ZINC000049049870 563136781 /nfs/dbraw/zinc/13/67/81/563136781.db2.gz NECNAEMRXKFEII-UHFFFAOYSA-N 0 3 434.550 5.991 1 0 IKAFHN Cc1c(CN2CCCC2)cc(-c2ccc(F)cc2)n1Nc1ccnc2cc(Cl)ccc21 ZINC000058575428 563144876 /nfs/dbraw/zinc/14/48/76/563144876.db2.gz MHMTYYBTXYYSJV-UHFFFAOYSA-N 0 3 434.946 6.275 1 0 IKAFHN Cc1ccc([C@H]2C[C@@H](n3cc(-c4ccc(F)cc4)nn3)[C@H](O)CN2Cc2cccs2)cc1 ZINC000061923967 563149640 /nfs/dbraw/zinc/14/96/40/563149640.db2.gz QDFZXRNGSGYASW-UBFVSLLYSA-N 0 3 448.567 5.003 3 0 IKAFHN COc1ccc2sc(-c3ccccc3OC)c(-c3ccc(OCCN(C)C)cc3)c2c1 ZINC000061944880 563151071 /nfs/dbraw/zinc/15/10/71/563151071.db2.gz OHUYUZQKKZNYPY-UHFFFAOYSA-N 0 3 433.573 6.193 3 0 IKAFHN Oc1ccc(-c2nc3ccccc3n2Cc2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000064264576 563152545 /nfs/dbraw/zinc/15/25/45/563152545.db2.gz MDJKJVUFUPBARW-UHFFFAOYSA-N 0 3 427.548 5.322 1 0 IKAFHN COc1ccccc1CN1CCC(CCC(=O)c2cc3ccn4c3c(c2)CCC4=O)CC1 ZINC000066101726 563158371 /nfs/dbraw/zinc/15/83/71/563158371.db2.gz OLTPXEYIHUWLFT-UHFFFAOYSA-N 0 3 430.548 5.111 1 0 IKAFHN CC(C)CN[C@@H](CCc1ccccc1)c1nc(Cc2ccccc2)c(N2CCCCC2)o1 ZINC000072102455 563162835 /nfs/dbraw/zinc/16/28/35/563162835.db2.gz CJJCPPODYVROJQ-VWLOTQADSA-N 0 3 431.624 6.175 1 0 IKAFHN Cc1ccc([C@@H]2C[C@@H](O)[C@H](n3cc(-c4ccc(F)cc4)nn3)CN2Cc2cccs2)cc1 ZINC000072142449 563164770 /nfs/dbraw/zinc/16/47/70/563164770.db2.gz MOOQRFHZJWKCHK-ISJGIBHGSA-N 0 3 448.567 5.003 1 0 IKAFHN Cc1ccc([C@@H]2C[C@H](O)[C@H](n3cc(-c4ccc(F)cc4)nn3)CN2Cc2cccs2)cc1 ZINC000072142445 563164834 /nfs/dbraw/zinc/16/48/34/563164834.db2.gz MOOQRFHZJWKCHK-GVAUOCQISA-N 0 3 448.567 5.003 1 0 IKAFHN CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OC(=O)CSc2ccccc2)c1-3 ZINC000072176171 563165593 /nfs/dbraw/zinc/16/55/93/563165593.db2.gz LSKSSWIRNDMQHX-HSZRJFAPSA-N 0 3 429.585 5.917 1 0 IKAFHN COc1ccc(CN2CCC(N[C@H](c3cccnc3)c3ccc(Cl)cc3F)CC2)cc1 ZINC000072184447 563167767 /nfs/dbraw/zinc/16/77/67/563167767.db2.gz HCMGEKZAVMNLPW-RUZDIDTESA-N 0 3 439.962 5.226 1 0 IKAFHN FC(F)(F)c1ccc(N2CCC(N[C@H](c3ccc(Cl)cc3)c3cccnc3)CC2)cc1 ZINC000072185951 563168177 /nfs/dbraw/zinc/16/81/77/563168177.db2.gz NCYSELBGNKFHAG-HSZRJFAPSA-N 0 3 445.916 6.102 1 0 IKAFHN COc1cc(OC)cc(-c2cccc(Cc3cn(Cc4cc(F)cc(F)c4)c(N)n3)c2)c1 ZINC000073219328 563170434 /nfs/dbraw/zinc/17/04/34/563170434.db2.gz SLRVECCOWGOFDM-UHFFFAOYSA-N 0 3 435.474 5.067 1 0 IKAFHN C[C@@H](c1ccc(-c2ccccc2)cc1)[C@H](N)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000073223578 563170902 /nfs/dbraw/zinc/17/09/02/563170902.db2.gz SYJKZXQWLHDTBT-RXYZOABWSA-N 0 3 446.900 5.858 1 0 IKAFHN FC(F)(F)Oc1ccc(CN2CCC3(CC2)O[C@@H](c2ccccn2)c2ccccc23)cc1 ZINC000073276002 563171666 /nfs/dbraw/zinc/17/16/66/563171666.db2.gz JAPIDKMATJUVAF-HSZRJFAPSA-N 0 3 440.465 5.591 1 0 IKAFHN COc1ccc2nccc([C@@H](O)[C@H]3C[C@H]4CCN3C[C@@H]4/C=C/c3ccc(Cl)cc3)c2c1 ZINC000084618773 563174557 /nfs/dbraw/zinc/17/45/57/563174557.db2.gz AQWSOUCJVNQMLC-OVQBCTISSA-N 0 3 434.967 5.354 1 0 IKAFHN Cc1c(NC(=O)c2ccc(-c3ccc(F)cc3)cc2)ccc2cc(CN3CCCC3)cnc21 ZINC000084652328 563174883 /nfs/dbraw/zinc/17/48/83/563174883.db2.gz BSQRGMOOEUYKJQ-UHFFFAOYSA-N 0 3 439.534 6.197 1 0 IKAFHN O=C(N[C@H]1CC[C@H]2CN(Cc3cccc(F)c3)C[C@H]21)C(C1CCCCC1)C1CCCCC1 ZINC000084652302 563174944 /nfs/dbraw/zinc/17/49/44/563174944.db2.gz FPCPPSFMBBGBTO-DMDYGQEQSA-N 0 3 440.647 5.929 1 0 IKAFHN CN(CCOc1cccc(-c2ccc(C(=O)N3CCCC3)cc2)c1)Cc1ccc(F)cc1 ZINC000084687971 563176000 /nfs/dbraw/zinc/17/60/00/563176000.db2.gz VVRDULYAPGDIDZ-UHFFFAOYSA-N 0 3 432.539 5.240 1 0 IKAFHN CN1CCC(Oc2ccc3cc(-c4ccc(Oc5ccccc5)cc4)c(=O)oc3c2)CC1 ZINC000084725730 563178115 /nfs/dbraw/zinc/17/81/15/563178115.db2.gz FTGWZTPEMKJINV-UHFFFAOYSA-N 0 3 427.500 5.725 1 0 IKAFHN Fc1ccc(-c2nc(CNc3ccnc4cc(Cl)ccc43)[nH]c2CN2CCCC2)cc1 ZINC000095560762 563182286 /nfs/dbraw/zinc/18/22/86/563182286.db2.gz BNKVHZDUABEEIG-UHFFFAOYSA-N 0 3 435.934 5.625 1 0 IKAFHN CCN1CCN(Cc2ccc([C@@H](c3ccccc3)C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000095562712 563182742 /nfs/dbraw/zinc/18/27/42/563182742.db2.gz GOBMXPRHAMNLFG-PHPBTLJDSA-N 0 3 428.664 6.172 1 0 IKAFHN Cc1ccc(-c2nc(CNc3ccnc4cc(Cl)ccc43)[nH]c2CN2CCCC2)cc1 ZINC000095563581 563182917 /nfs/dbraw/zinc/18/29/17/563182917.db2.gz JAUGTAROYGYPER-UHFFFAOYSA-N 0 3 431.971 5.795 1 0 IKAFHN COc1ccccc1OCCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000095565783 563183402 /nfs/dbraw/zinc/18/34/02/563183402.db2.gz ZHBSYSBUJUDYGI-UHFFFAOYSA-N 0 3 431.576 5.112 3 0 IKAFHN Cc1cc2c(cccc2OC[C@@H](O)CN2CC[C@@H](c3cccc4ccsc43)C[C@@H]2C)[nH]1 ZINC000095607328 563194154 /nfs/dbraw/zinc/19/41/54/563194154.db2.gz UUKAZYSPDRJOMA-TYPHKJRUSA-N 0 3 434.605 5.699 1 0 IKAFHN CN(C)CCOc1ccc(C(C)(C)C)cc1[C@@]1(c2ccccc2)c2ccccc2NC1=O ZINC000096937525 563199553 /nfs/dbraw/zinc/19/95/53/563199553.db2.gz ONFHKJAAGMXMDK-MUUNZHRXSA-N 0 3 428.576 5.211 1 0 IKAFHN O=C(CCCN1CCN(c2ccccc2)CC1)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000028647165 132226049 /nfs/dbraw/zinc/22/60/49/132226049.db2.gz AWAIIWFYQQLHOS-UHFFFAOYSA-N 0 3 426.775 5.188 1 0 IKAFHN COc1cccc2c1c(OC)cc(OC)c2-c1c(O)cc2c(c1OC)[C@@H](C)N(C)[C@H](C)C2 ZINC000095486166 560061709 /nfs/dbraw/zinc/06/17/09/560061709.db2.gz QRFJNFHGJBCPFB-HUUCEWRRSA-N 0 3 437.536 5.184 1 0 biogenic,in-vitro IKAFHN CCCC[C@H]1CCc2cc(O)cc3c(CCN4CCN(c5cc(C)ccn5)CC4)c(C)n1c32 ZINC000001539350 562922666 /nfs/dbraw/zinc/92/26/66/562922666.db2.gz GLTHSRFPHHLMIW-QHCPKHFHSA-N 0 3 446.639 5.401 1 0 IKAFHN Oc1ccc2c(c1)CC[C@@H](c1ccccc1)N2Cc1ccc(OCCN2CCCCC2)cc1 ZINC000001553960 562922942 /nfs/dbraw/zinc/92/29/42/562922942.db2.gz OQJYJENHHOZHPV-NDEPHWFRSA-N 0 3 442.603 5.951 1 0 IKAFHN COc1ccc2c(c1)OC(C)(C)[C@@H](c1ccccc1)[C@H]2c1ccc(OCCN(C)C)cc1 ZINC000002021430 562925639 /nfs/dbraw/zinc/92/56/39/562925639.db2.gz IORHSRGNDIZONT-SVBPBHIXSA-N 0 3 431.576 5.722 1 0 IKAFHN CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2cccc(CN(C)C)c2)CCCC1 ZINC000003788648 562937856 /nfs/dbraw/zinc/93/78/56/562937856.db2.gz CAFXWIACTUBFTP-UHFFFAOYSA-N 0 3 435.656 6.629 1 0 IKAFHN COc1cccc2sc(C3CCN(C[C@H](O)COc4cccc5[nH]ccc54)CC3)cc21 ZINC000003991708 562940512 /nfs/dbraw/zinc/94/05/12/562940512.db2.gz XTXWKNNMEGRBTM-SFHVURJKSA-N 0 3 436.577 5.011 1 0 IKAFHN COc1cc2[nH]c(-c3ccc4c(c3)[C@@H](N3CCCC3)CC4)cc(=O)c2cc1-c1cnco1 ZINC000012354296 562981239 /nfs/dbraw/zinc/98/12/39/562981239.db2.gz YVHDANBJKFBIKP-QHCPKHFHSA-N 0 3 427.504 5.354 1 0 IKAFHN Oc1ccc2c(c1)S[C@H](c1cccnc1)[C@H](c1ccc(OCCN3CCCCC3)cc1)O2 ZINC000012353894 562981267 /nfs/dbraw/zinc/98/12/67/562981267.db2.gz ZVGTXIRTLQSZBT-IZZNHLLZSA-N 0 3 448.588 5.619 1 0 IKAFHN CCC[C@H]1C(=O)N(CCN(C)C)c2cccc(C(F)(F)F)c2C[C@H]1c1ccc(OC)cc1 ZINC000013450685 562987294 /nfs/dbraw/zinc/98/72/94/562987294.db2.gz WLTFNEFMVYNRKT-UXHICEINSA-N 0 3 448.529 5.365 1 0 IKAFHN CCC[C@H]1C(=O)N(CCN(C)C)c2ccc(C(F)(F)F)cc2C[C@H]1c1ccc(OC)cc1 ZINC000013450699 562987300 /nfs/dbraw/zinc/98/73/00/562987300.db2.gz VBCISBNDKAJMHX-YADHBBJMSA-N 0 3 448.529 5.365 1 0 IKAFHN Oc1ccc2c3c(ccc2c1)-c1ccccc1[C@@H]3c1ccc(OCCN2CCCCC2)cc1 ZINC000013451379 562987468 /nfs/dbraw/zinc/98/74/68/562987468.db2.gz QQZQFFQHCZSFNV-LJAQVGFWSA-N 0 3 435.567 6.571 1 0 IKAFHN CC(=O)c1ccc2c3c1CCC[C@]3(CCCCN1CC=C(c3ccccc3)CC1)C(=O)N2 ZINC000013473716 562988411 /nfs/dbraw/zinc/98/84/11/562988411.db2.gz CUBVIRNGTGDSLI-NDEPHWFRSA-N 0 3 428.576 5.375 1 0 IKAFHN CC(=O)c1ccc2c3c1CCC[C@@]3(CCCCN1CC=C(c3ccccc3)CC1)C(=O)N2 ZINC000013473717 562988426 /nfs/dbraw/zinc/98/84/26/562988426.db2.gz CUBVIRNGTGDSLI-MUUNZHRXSA-N 0 3 428.576 5.375 1 0 IKAFHN O=C(Nc1ccccc1)Nc1cccc([C@@H](O)CN2CCC(Cc3ccccc3)CC2)c1 ZINC000013475778 562988990 /nfs/dbraw/zinc/98/89/90/562988990.db2.gz OBHVQSQUOOYRGT-SANMLTNESA-N 0 3 429.564 5.319 1 0 IKAFHN CCOc1c(C)cc(Br)cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487785 562989622 /nfs/dbraw/zinc/98/96/22/562989622.db2.gz OVUDXTNLEILHLP-UHFFFAOYSA-N 0 3 444.373 5.002 1 0 IKAFHN COc1ccc2sc(C3CCN(C[C@H](O)COc4cccc5[nH]ccc54)CC3)cc2c1 ZINC000013490078 562990142 /nfs/dbraw/zinc/99/01/42/562990142.db2.gz YAZWLBWHFMOCPB-IBGZPJMESA-N 0 3 436.577 5.011 1 0 IKAFHN C[C@@]1(c2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc2CCN1c1ccccc1 ZINC000013523277 562991466 /nfs/dbraw/zinc/99/14/66/562991466.db2.gz AIFWSSWVFCKBHO-GDLZYMKVSA-N 0 3 442.603 5.583 1 0 IKAFHN C[C@H]1C[C@@H](c2cc3cc(F)ccc3s2)CCN1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000013535659 562992305 /nfs/dbraw/zinc/99/23/05/562992305.db2.gz VXBBUYIZAQUAJB-ZWOKBUDYSA-N 0 3 438.568 5.530 1 0 IKAFHN Cc1cccc2sc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]ccc54)[C@@H](C)C3)cc21 ZINC000013535676 562992383 /nfs/dbraw/zinc/99/23/83/562992383.db2.gz RBTQWIMQKBKIOV-ZCNNSNEGSA-N 0 3 434.605 5.699 1 0 IKAFHN C[C@H]1C[C@H](c2cc3ccc(F)cc3s2)CCN1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000013535695 562992461 /nfs/dbraw/zinc/99/24/61/562992461.db2.gz GOYJQBUTBBQPFC-HQRMLTQVSA-N 0 3 438.568 5.530 1 0 IKAFHN CN(C)CCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1 ZINC000013537642 562992541 /nfs/dbraw/zinc/99/25/41/562992541.db2.gz QMEMHVHMFKSLBE-UHFFFAOYSA-N 0 3 446.641 6.402 1 0 IKAFHN Oc1ccc([C@@H]2Cc3ccc(O)cc3O[C@@H]2c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000013560487 562994174 /nfs/dbraw/zinc/99/41/74/562994174.db2.gz KBMDZABSIZNFOF-XTEPFMGCSA-N 0 3 445.559 5.423 1 0 IKAFHN CCCN(Cc1sc(Nc2c(C)cc(Cl)cc2C)nc1C(F)(F)F)CC1CC1 ZINC000013587344 562995674 /nfs/dbraw/zinc/99/56/74/562995674.db2.gz IRNUWPICFPGYQU-UHFFFAOYSA-N 0 3 431.955 6.798 1 0 IKAFHN CCCN(Cc1sc(Nc2ccc(OC)cc2OC)nc1C(F)(F)F)CC1CC1 ZINC000013587348 562995680 /nfs/dbraw/zinc/99/56/80/562995680.db2.gz URXZBVXGPOSYQN-UHFFFAOYSA-N 0 3 429.508 5.545 1 0 IKAFHN Cc1c2cc(O)ccc2n(CCCCCCN[C@@H](C)c2ccccn2)c1-c1ccc(O)cc1 ZINC000013649987 562998983 /nfs/dbraw/zinc/99/89/83/562998983.db2.gz HIHVTGQFMFQDEG-NRFANRHFSA-N 0 3 443.591 6.334 1 0 IKAFHN Cc1c2cc(O)ccc2n(CCCCCCN[C@H](C)c2ccccn2)c1-c1ccc(O)cc1 ZINC000013649986 562998987 /nfs/dbraw/zinc/99/89/87/562998987.db2.gz HIHVTGQFMFQDEG-OAQYLSRUSA-N 0 3 443.591 6.334 1 0 IKAFHN O=C(NCCCOc1cccc(CN2CCCCC2)c1)Nc1cccc(C(F)(F)F)c1 ZINC000013725226 563001355 /nfs/dbraw/zinc/00/13/55/563001355.db2.gz UEYLTDPPLIJKCQ-UHFFFAOYSA-N 0 3 435.490 5.282 1 0 IKAFHN CCOC(=O)[C@@H]1CCCN(CCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC000013729557 563001707 /nfs/dbraw/zinc/00/17/07/563001707.db2.gz IONXAOIHSBYWRM-LJQANCHMSA-N 0 3 436.379 5.375 1 0 IKAFHN Cc1ccc2c(C3CCN(CCN4CCN(C(C)C)C4=O)CC3)cn(-c3ccccc3)c2c1 ZINC000013731183 563001808 /nfs/dbraw/zinc/00/18/08/563001808.db2.gz NVDGVHLBFYZKSO-UHFFFAOYSA-N 0 3 444.623 5.264 1 0 IKAFHN Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCC[C@@H](N(C)C)c4ccccc43)cc2)cc1 ZINC000013757966 563004599 /nfs/dbraw/zinc/00/45/99/563004599.db2.gz PHPULJQCMNHJMS-XMMPIXPASA-N 0 3 427.548 5.291 1 0 IKAFHN CN(C)[C@@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c2ccccc21 ZINC000013757970 563004617 /nfs/dbraw/zinc/00/46/17/563004617.db2.gz UFEYOJAXAPVSJT-HSZRJFAPSA-N 0 3 447.966 5.636 1 0 IKAFHN CCCc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(Cl)cc3)ccc2n1 ZINC000013835532 563012153 /nfs/dbraw/zinc/01/21/53/563012153.db2.gz PXUVWPAZAHWNHO-UHFFFAOYSA-N 0 3 445.950 6.254 1 0 IKAFHN COc1ccc(O[C@H](CCN2CCN(c3ccc(Cl)cc3)CC2)c2ccccc2)cc1 ZINC000013861709 563012883 /nfs/dbraw/zinc/01/28/83/563012883.db2.gz VYONZOVNZCVKFR-AREMUKBSSA-N 0 3 436.983 5.681 1 0 IKAFHN Cc1cccc(C)c1Nc1ncc(-c2cccc(OC[C@H]3CCCN(C)C3)c2)n2cncc12 ZINC000013981064 563014215 /nfs/dbraw/zinc/01/42/15/563014215.db2.gz CMZVYJMYCACHOM-NRFANRHFSA-N 0 3 441.579 5.477 1 0 IKAFHN COc1cc(-c2ccc3c(c2)NC(=O)/C3=C\c2[nH]c(C)c(CN(C)C)c2C(C)C)ccc1O ZINC000014956317 563015803 /nfs/dbraw/zinc/01/58/03/563015803.db2.gz OSFVSYFDKMYAJC-MOSHPQCFSA-N 0 3 445.563 5.382 1 0 IKAFHN CSCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 ZINC000014978659 563017277 /nfs/dbraw/zinc/01/72/77/563017277.db2.gz KOKFDHHICYICJW-DQSJHHFOSA-N 0 3 447.644 6.435 1 0 IKAFHN c1ccc(CCCN2CCN(CCCCN(Cc3ccccc3)c3ccccc3)CC2)cc1 ZINC000022925738 563025929 /nfs/dbraw/zinc/02/59/29/563025929.db2.gz UHSCSAWACVGXHJ-UHFFFAOYSA-N 0 3 441.663 5.724 1 0 IKAFHN COc1ccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022939456 563026812 /nfs/dbraw/zinc/02/68/12/563026812.db2.gz KUUFDDVDVNEHHS-UHFFFAOYSA-N 0 3 444.619 5.052 1 0 IKAFHN COc1ccc(CCCN2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000025996662 563028186 /nfs/dbraw/zinc/02/81/86/563028186.db2.gz GWYICQIMZJHISZ-UHFFFAOYSA-N 0 3 428.620 5.468 1 0 IKAFHN O[C@H](CCCN1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccccc1)c1ccc(F)cc1 ZINC000026179029 563029564 /nfs/dbraw/zinc/02/95/64/563029564.db2.gz VCHSYIPRDSWSPA-WYMJOSIYSA-N 0 3 434.530 5.788 1 0 IKAFHN O[C@@H](CCCN1CC[C@@H]2[C@@H](C1)c1ccccc1N2c1ccc(F)cc1)c1ccc(F)cc1 ZINC000026181445 563029659 /nfs/dbraw/zinc/02/96/59/563029659.db2.gz NQGONAKHHVLXTL-OIKPOIBNSA-N 0 3 434.530 5.788 1 0 IKAFHN O=C1CCCCN1CCCCN1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1 ZINC000026187921 563029859 /nfs/dbraw/zinc/02/98/59/563029859.db2.gz WALAJAAZARPECC-UKILVPOCSA-N 0 3 439.550 5.067 1 0 IKAFHN FC(F)(F)c1cccc(N2CCN(CCCCCOc3ccc4c(c3)CCC4)CC2)c1 ZINC000026509217 563033083 /nfs/dbraw/zinc/03/30/83/563033083.db2.gz GBMOFTYYYJSWQC-UHFFFAOYSA-N 0 3 432.530 5.565 1 0 IKAFHN Oc1ccc2c(c1)S[C@H](c1ccncc1)[C@H](c1ccc(OCCN3CCCCC3)cc1)O2 ZINC000026574887 563033519 /nfs/dbraw/zinc/03/35/19/563033519.db2.gz FSRJCUXUSRNUQO-IZZNHLLZSA-N 0 3 448.588 5.619 1 0 IKAFHN C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1CCCc1ccccc1 ZINC000026577686 563033939 /nfs/dbraw/zinc/03/39/39/563033939.db2.gz KRUBQUVNIYCARV-KAYWLYCHSA-N 0 3 441.663 6.242 1 0 IKAFHN Oc1ccc2c(c1)S[C@H](c1ccccc1)[C@H](c1ccc(OCCN3CCCCC3)cc1)O2 ZINC000026651316 563034590 /nfs/dbraw/zinc/03/45/90/563034590.db2.gz WGDOPZQMRJSAPD-RRPNLBNLSA-N 0 3 447.600 6.224 1 0 IKAFHN Oc1ccc2c(c1)S[C@@H](c1ccccc1)[C@H](c1ccc(OCCN3CCCCC3)cc1)O2 ZINC000026651325 563034593 /nfs/dbraw/zinc/03/45/93/563034593.db2.gz WGDOPZQMRJSAPD-SVBPBHIXSA-N 0 3 447.600 6.224 1 0 IKAFHN CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CCC(N)=O)CC1 ZINC000026665331 563035217 /nfs/dbraw/zinc/03/52/17/563035217.db2.gz ZZHNOVUUFUFNLN-ZWKOTPCHSA-N 0 3 428.617 5.218 1 0 IKAFHN CCOC(=O)[C@@H]1CCCN(Cc2[nH]nc3cccc(OCc4ccc(C(C)(C)C)cc4)c32)C1 ZINC000026731116 563035946 /nfs/dbraw/zinc/03/59/46/563035946.db2.gz OYUQYRJYOXLEBN-HXUWFJFHSA-N 0 3 449.595 5.215 1 0 IKAFHN C[C@@H]1[C@@H](C)c2ccccc2[C@H](CN2CCCC2)N1C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000026744683 563036352 /nfs/dbraw/zinc/03/63/52/563036352.db2.gz PLYOATQTXPMHSZ-QZMQVMSPSA-N 0 3 431.407 5.707 1 0 IKAFHN COc1ccc2c(c1)O[C@@H](c1ccc(OCCN3CCCC3)cc1)[C@@H](c1ccccc1)C2=O ZINC000026946169 563038078 /nfs/dbraw/zinc/03/80/78/563038078.db2.gz KQGPDKRGLZIJCH-XCZPVHLTSA-N 0 3 443.543 5.270 1 0 IKAFHN COc1ccc2c(c1)O[C@@H](c1ccc(OCCN3CCCC3)cc1)C(c1ccccc1)=C2 ZINC000026957184 563038250 /nfs/dbraw/zinc/03/82/50/563038250.db2.gz HWTDZENDPWBZGE-NDEPHWFRSA-N 0 3 427.544 5.844 1 0 IKAFHN FC(F)(F)c1cc(CO[C@@H]2C3CCN(CC3)[C@H]2Cc2ccccc2)cc(C(F)(F)F)c1 ZINC000027546611 563043432 /nfs/dbraw/zinc/04/34/32/563043432.db2.gz JOTMNMNWQYWMOE-LEWJYISDSA-N 0 3 443.431 5.946 1 0 IKAFHN COc1cccc2c1CC[C@H](N1CCCC1)[C@H]2N(C)C(=O)Cc1ccc(Cl)cc1Cl ZINC000027766684 563047068 /nfs/dbraw/zinc/04/70/68/563047068.db2.gz OAPVBBARBLUDJS-URXFXBBRSA-N 0 3 447.406 5.155 1 0 IKAFHN O=C(Nc1ccccc1C(F)(F)F)NC1CCN(CCc2c[nH]c3ccccc23)CC1 ZINC000027992708 563048947 /nfs/dbraw/zinc/04/89/47/563048947.db2.gz FQSZZYYPHGVYDC-UHFFFAOYSA-N 0 3 430.474 5.015 1 0 IKAFHN CCCN(CC)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F ZINC000028122926 563051135 /nfs/dbraw/zinc/05/11/35/563051135.db2.gz MDVVVKDZMDEZHS-UHFFFAOYSA-N 0 3 446.753 7.098 1 0 IKAFHN O=C1[C@H](c2ccc(C(F)(F)F)cc2)CC=CCN1[C@@H](CN1CCCC1)c1ccccc1 ZINC000028455813 563054685 /nfs/dbraw/zinc/05/46/85/563054685.db2.gz ASGNSBZVWDMQMJ-GOTSBHOMSA-N 0 3 428.498 5.415 1 0 IKAFHN COc1ccc(CN2CCC(N3C(=O)Nc4ccccc4[C@H]3c3ccccc3)CC2)cc1 ZINC000028568010 563058461 /nfs/dbraw/zinc/05/84/61/563058461.db2.gz FYYBHVIEVZMBFP-AREMUKBSSA-N 0 3 427.548 5.297 1 0 IKAFHN CC(C)(C)[C@@H](NC[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1)c1ccccc1 ZINC000028637018 563059846 /nfs/dbraw/zinc/05/98/46/563059846.db2.gz NXLSPYIPMYWKMG-YWEHKCAJSA-N 0 3 445.603 5.619 1 0 IKAFHN CC(C)[C@H](NC[C@H](O)COc1ccccc1C(=O)CCc1ccccc1)c1ccccc1 ZINC000028636826 563059881 /nfs/dbraw/zinc/05/98/81/563059881.db2.gz IMSAUJVBNBXQTC-CUBQBAPOSA-N 0 3 431.576 5.229 1 0 IKAFHN c1ccc(-c2ccc(CN3[C@@H]4CC[C@H]3CN(Cc3ccc(-c5ccccc5)cc3)C4)cc2)cc1 ZINC000028707589 563062188 /nfs/dbraw/zinc/06/21/88/563062188.db2.gz JRLXCUCYQSHCJI-MEKGRNQZSA-N 0 3 444.622 6.869 1 0 IKAFHN CC1(C)[C@@H]2C[C@H]1C(CN1CCC(NC(=O)Nc3ccc(OC(F)(F)F)cc3)CC1)=CC2 ZINC000028708681 563062397 /nfs/dbraw/zinc/06/23/97/563062397.db2.gz MFPBGQALPRVWRX-JXFKEZNVSA-N 0 3 437.506 5.164 1 0 IKAFHN CC(C)C(=O)Nc1cccc(C2CCN(CCCC(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000028710563 563062561 /nfs/dbraw/zinc/06/25/61/563062561.db2.gz XZHJITMMAUAOIV-UHFFFAOYSA-N 0 3 426.988 5.777 1 0 IKAFHN CC(C)C(=O)Nc1cccc(C2CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)c1 ZINC000028710583 563062602 /nfs/dbraw/zinc/06/26/02/563062602.db2.gz BNQLJQAWDJNCDL-UHFFFAOYSA-N 0 3 428.576 6.453 1 0 IKAFHN COc1ccc2c(c1)OCC(c1ccc(F)cc1)=C2c1ccc(OCCN2CCCC2)cc1 ZINC000028761978 563063761 /nfs/dbraw/zinc/06/37/61/563063761.db2.gz HTMZBEWHWDXEJL-UHFFFAOYSA-N 0 3 445.534 5.660 1 0 IKAFHN COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCCN1CCCCCC1 ZINC000028819859 563065266 /nfs/dbraw/zinc/06/52/66/563065266.db2.gz KXTOHQQZXQCPKK-UHFFFAOYSA-N 0 3 449.378 5.417 1 0 IKAFHN COc1cc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1OCCN1CCCC1 ZINC000028899161 563068925 /nfs/dbraw/zinc/06/89/25/563068925.db2.gz ROYXKWFBXGVHOV-UHFFFAOYSA-N 0 3 447.535 5.606 1 0 IKAFHN Fc1ccc([C@H](c2ccccc2)c2c(OCCN3CCCCC3)ccc3ccccc32)cc1 ZINC000028955583 563070186 /nfs/dbraw/zinc/07/01/86/563070186.db2.gz DMMQOUSUPSOOPY-LJAQVGFWSA-N 0 3 439.574 7.024 1 0 IKAFHN CC1(C)[C@@H]2C[C@H]1C(CN1CCC(Nc3nc4ccc(Br)cc4s3)CC1)=CC2 ZINC000028957195 563070431 /nfs/dbraw/zinc/07/04/31/563070431.db2.gz HRXQIUYPCJHWSI-YJBOKZPZSA-N 0 3 446.458 5.928 1 0 IKAFHN CCCCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)C)ccn32)n1 ZINC000028963551 563070851 /nfs/dbraw/zinc/07/08/51/563070851.db2.gz WRBFTCIWHYSJLD-UHFFFAOYSA-N 0 3 432.547 5.261 1 0 IKAFHN CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCCN(C)C)c2ccccc21 ZINC000029037828 563071719 /nfs/dbraw/zinc/07/17/19/563071719.db2.gz HZAWLWCNSGPLFB-UHFFFAOYSA-N 0 3 433.640 6.394 1 0 IKAFHN CC[C@@]1(CCCCCN2CCN(c3ccc(Cl)cc3)CC2)c2ccccc2NC1=O ZINC000029052997 563073171 /nfs/dbraw/zinc/07/31/71/563073171.db2.gz LLEDBTDMYSFCBM-RUZDIDTESA-N 0 3 426.004 5.323 1 0 IKAFHN CC[C@@]1(CCCCN2CCN(c3ccc(Cl)cc3)CC2)C(=O)Nc2cc(F)ccc21 ZINC000029055364 563073391 /nfs/dbraw/zinc/07/33/91/563073391.db2.gz QFHWIGIQQPTXBG-DEOSSOPVSA-N 0 3 429.967 5.072 1 0 IKAFHN C(/C=C/c1ccc2c(c1)OCO2)=C\c1sc([N-]c2ccccc2)n[n+]1-c1ccccc1 ZINC000029064002 563073878 /nfs/dbraw/zinc/07/38/78/563073878.db2.gz IWWIKWROZWNELY-AITIXOJYSA-N 0 3 426.521 5.619 1 0 IKAFHN C[C@H](Nc1cc(Nc2nccc(-c3cccc(-c4ccccc4)c3)n2)ccn1)c1ccccc1 ZINC000029126696 563074743 /nfs/dbraw/zinc/07/47/43/563074743.db2.gz OYZBARDBMPADOQ-NRFANRHFSA-N 0 3 443.554 7.122 1 0 IKAFHN CNc1cc(NC(=O)OC)ccc1N=C1C2=CCCC(C)(C)C2=N[C@H]2C1=CC=CC2(C)C ZINC000029339429 563078332 /nfs/dbraw/zinc/07/83/32/563078332.db2.gz WBMWGXSMQBTLEK-QFIPXVFZSA-N 0 3 432.568 5.904 1 0 IKAFHN Cc1ccc(C(C(=O)NCCCN2CCC(c3ccccn3)CC2)c2ccc(C)cc2)cc1 ZINC000029345034 563078632 /nfs/dbraw/zinc/07/86/32/563078632.db2.gz DQQUWTIATKHALF-UHFFFAOYSA-N 0 3 441.619 5.216 1 0 IKAFHN Cc1oc(-c2ccc(F)cc2)nc1CCN1CCC2(CC1)OC(=O)Nc1ccc(C)cc12 ZINC000029483791 563081224 /nfs/dbraw/zinc/08/12/24/563081224.db2.gz DKJIVIQZTYONQO-UHFFFAOYSA-N 0 3 435.499 5.193 1 0 IKAFHN COc1ccc(CN[C@@H](CNC(=O)Nc2c(C(C)C)cccc2C(C)C)CC(C)C)cc1 ZINC000029488908 563081441 /nfs/dbraw/zinc/08/14/41/563081441.db2.gz DKYVYDRLVFSEHS-JOCHJYFZSA-N 0 3 439.644 6.268 1 0 IKAFHN Cc1cc2sc(C3CCN(C[C@H](O)COc4cccc5[nH]ccc54)CC3)cc2c(C)c1 ZINC000029556170 563082131 /nfs/dbraw/zinc/08/21/31/563082131.db2.gz URRZGKMZPRCQHM-FQEVSTJZSA-N 0 3 434.605 5.619 1 0 IKAFHN CC(C)N(Cc1ccccc1)C[C@@H](O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1 ZINC000029559779 563082289 /nfs/dbraw/zinc/08/22/89/563082289.db2.gz WJLRKZLYCZXLCP-HSZRJFAPSA-N 0 3 443.543 5.110 1 0 IKAFHN C[C@@H](c1ccccc1)N1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000029567364 563082684 /nfs/dbraw/zinc/08/26/84/563082684.db2.gz PCJUYAAOEVYFKT-FQEVSTJZSA-N 0 3 428.555 5.861 1 0 IKAFHN Oc1cccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)c1 ZINC000029569338 563082964 /nfs/dbraw/zinc/08/29/64/563082964.db2.gz UPZLGFQLLYFEEA-UHFFFAOYSA-N 0 3 444.554 5.048 1 0 IKAFHN CC1(C)Oc2ccccc2C(c2ccc(OCCN3CCCC3)cc2)=C1c1ccccc1 ZINC000033827354 563084777 /nfs/dbraw/zinc/08/47/77/563084777.db2.gz ZQHUUFJAFBDUBB-UHFFFAOYSA-N 0 3 425.572 6.291 1 0 IKAFHN Cc1c2cc(O)ccc2n(Cc2ccc(OCCN3CCCCC3)cc2)c1-c1ccccc1 ZINC000034312355 563086127 /nfs/dbraw/zinc/08/61/27/563086127.db2.gz BQYMNRMHTXRMGR-UHFFFAOYSA-N 0 3 440.587 6.235 1 0 IKAFHN COc1cc(N(C)C(=O)c2ccc(-c3ccccc3)cc2)ccc1OCCN1CCCC1 ZINC000034351774 563086234 /nfs/dbraw/zinc/08/62/34/563086234.db2.gz ORISXKLAUSKCQY-UHFFFAOYSA-N 0 3 430.548 5.113 1 0 IKAFHN Cn1c(=O)cc(NC2CCN(Cc3ccc4ccccc4c3)CC2)c2cc(Cl)ccc21 ZINC000036126678 563091031 /nfs/dbraw/zinc/09/10/31/563091031.db2.gz KXJVMFXTTSRQMV-UHFFFAOYSA-N 0 3 431.967 5.422 1 0 IKAFHN CCOC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N2C ZINC000036271656 563092471 /nfs/dbraw/zinc/09/24/71/563092471.db2.gz WFAGOELXJWLULR-LNRXMEIDSA-N 0 3 448.390 5.514 1 0 IKAFHN CCN(CC)Cc1cnc2c(cccc2CNC(=O)c2ccc(-c3ccc(F)cc3)nc2)c1 ZINC000036351707 563093416 /nfs/dbraw/zinc/09/34/16/563093416.db2.gz AJBOEHICNNVRON-UHFFFAOYSA-N 0 3 442.538 5.208 1 0 IKAFHN Cc1sc(C(=O)CCc2cc(C)c(OCCN(C)C)c(C)c2)c2c1[C@H]1[C@@H](C2)C1(C)C ZINC000036478856 563095495 /nfs/dbraw/zinc/09/54/95/563095495.db2.gz GUIJMDUZMOKKRC-NFBKMPQASA-N 0 3 425.638 5.725 1 0 IKAFHN O=C(c1ccc(F)cc1)C1CCN(CCCN2c3ccccc3Sc3ccccc32)CC1 ZINC000039221712 563098880 /nfs/dbraw/zinc/09/88/80/563098880.db2.gz GPQBOGVFIZEKTG-UHFFFAOYSA-N 0 3 446.591 6.413 1 0 IKAFHN Fc1ccc(C2=C(c3ccc(OCCN4CCCC4)cc3)c3ccc(F)cc3OCC2)cc1 ZINC000040394265 563100356 /nfs/dbraw/zinc/10/03/56/563100356.db2.gz DVBULXMSJAHUEU-UHFFFAOYSA-N 0 3 447.525 6.181 1 0 IKAFHN COc1ccc(C)cc1NC(=O)OC1C[C@H]2CCC[C@@H](C1)N2Cc1ccc(SC)cc1 ZINC000040411705 563101768 /nfs/dbraw/zinc/10/17/68/563101768.db2.gz HFRLXDFJJCACCZ-WCRBZPEASA-N 0 3 440.609 5.860 1 0 IKAFHN Cc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 ZINC000040565381 563104791 /nfs/dbraw/zinc/10/47/91/563104791.db2.gz GNZSGRLCSBCVRF-UHFFFAOYSA-N 0 3 445.390 5.597 1 0 IKAFHN O=C(CCCN1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000040631760 563105661 /nfs/dbraw/zinc/10/56/61/563105661.db2.gz LPBLINVTTFORLO-UHFFFAOYSA-N 0 3 449.541 5.576 1 0 IKAFHN Cc1ccc(N2CC[C@H](c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 ZINC000040762447 563106336 /nfs/dbraw/zinc/10/63/36/563106336.db2.gz WAISWJFIOBYKSS-HXUWFJFHSA-N 0 3 447.406 5.687 1 0 IKAFHN c1ccc2c(c1)c1ccccc1n2CCCCN1CCN(Cc2ccc3ccccc3c2)CC1 ZINC000040847994 563107712 /nfs/dbraw/zinc/10/77/12/563107712.db2.gz GGLOINTWOWDJOP-UHFFFAOYSA-N 0 3 447.626 6.546 1 0 IKAFHN Cc1ccc(CC2=C(c3ccc(OCCN4CCCC4)cc3)c3ccccc3OCC2)cc1 ZINC000040891972 563110037 /nfs/dbraw/zinc/11/00/37/563110037.db2.gz VNXCCXOYYYSQGO-UHFFFAOYSA-N 0 3 439.599 6.297 1 0 IKAFHN CC(C)c1ccccc1N1CCN(CCCCCC(=O)N2CCc3ccccc3C2)CC1 ZINC000040949423 563113739 /nfs/dbraw/zinc/11/37/39/563113739.db2.gz QDZRLBZZELBOIJ-UHFFFAOYSA-N 0 3 433.640 5.077 1 0 IKAFHN O=c1oc(-c2ccccc2)cc(-c2ccccc2)c1-c1ccc(OCCN2CCCC2)cc1 ZINC000040974395 563115095 /nfs/dbraw/zinc/11/50/95/563115095.db2.gz CLXRUQMXVKEWCP-UHFFFAOYSA-N 0 3 437.539 6.115 1 0 IKAFHN O=c1oc(-c2ccccc2)cc(-c2ccc(OCCN3CCCC3)cc2)c1-c1ccccc1 ZINC000040974154 563115108 /nfs/dbraw/zinc/11/51/08/563115108.db2.gz RKJYYHYEOKVQLF-UHFFFAOYSA-N 0 3 437.539 6.115 1 0 IKAFHN c1c2ccc(C3=NCCN3)cc2oc1-c1ccc(OCCCCOc2ccccc2)cc1 ZINC000043120393 563118825 /nfs/dbraw/zinc/11/88/25/563118825.db2.gz IJEQAJMRGYMJAG-UHFFFAOYSA-N 0 3 426.516 5.688 1 0 IKAFHN Cc1cc(NC2CCN(Cc3ccccc3)CC2)nc(NCCCCc2ccccc2)n1 ZINC000045167385 563122372 /nfs/dbraw/zinc/12/23/72/563122372.db2.gz ARZIPOAQGFHWKE-UHFFFAOYSA-N 0 3 429.612 5.296 1 0 IKAFHN O=C(Nc1ccc(Cl)cc1)c1cccc(CN2CCCN(Cc3cccc(O)c3)CC2)c1 ZINC000045169002 563122699 /nfs/dbraw/zinc/12/26/99/563122699.db2.gz FOAOZDMQGHQUKK-UHFFFAOYSA-N 0 3 449.982 5.006 1 0 IKAFHN CCCCCCN1CCN(Cc2cccc(NC(=O)c3ccc(Cl)c(Cl)c3)c2)CC1 ZINC000045186786 563122782 /nfs/dbraw/zinc/12/27/82/563122782.db2.gz UYPRGKUQAPLOSP-UHFFFAOYSA-N 0 3 448.438 5.944 1 0 IKAFHN COc1ccc(CNCc2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)cc1 ZINC000045189073 563123199 /nfs/dbraw/zinc/12/31/99/563123199.db2.gz ZLNKPBRZJMOHCW-UHFFFAOYSA-N 0 3 425.557 6.257 1 0 IKAFHN CCc1ccc(CN2CCC(NC(=O)c3ccc(-c4ccc(N(C)C)cc4)s3)CC2)cc1 ZINC000045194928 563124341 /nfs/dbraw/zinc/12/43/41/563124341.db2.gz HSSRSLKCVGTNTH-UHFFFAOYSA-N 0 3 447.648 5.438 1 0 IKAFHN CNc1ccc(CNCc2ccc(-c3ccc(-c4nc5c(cccc5C)[nH]4)s3)cc2)cc1 ZINC000045200998 563124595 /nfs/dbraw/zinc/12/45/95/563124595.db2.gz KAYOLLUDGFWNJX-UHFFFAOYSA-N 0 3 438.600 6.598 1 0 IKAFHN CNc1ccc(CNCc2ccc(-c3ccc(-c4nc5cccc(C)c5[nH]4)s3)cc2)cc1 ZINC000045200998 563124596 /nfs/dbraw/zinc/12/45/96/563124596.db2.gz KAYOLLUDGFWNJX-UHFFFAOYSA-N 0 3 438.600 6.598 1 0 IKAFHN Cc1cc2nc(-c3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)s3)[nH]c2cc1C ZINC000045201623 563124851 /nfs/dbraw/zinc/12/48/51/563124851.db2.gz UKYRMUUEHZUQSP-UHFFFAOYSA-N 0 3 444.604 5.303 1 0 IKAFHN CC(C)c1ccc(CN2CC[C@@H](CNC(=O)c3cc(-c4cccc(F)c4)cs3)C2)cc1 ZINC000045202065 563124879 /nfs/dbraw/zinc/12/48/79/563124879.db2.gz ZYYHMIVPUJHESM-FQEVSTJZSA-N 0 3 436.596 5.930 1 0 IKAFHN CC(C)c1ccc(CN2CC[C@H](CNC(=O)c3cc(-c4cccc(F)c4)cs3)C2)cc1 ZINC000045202062 563124888 /nfs/dbraw/zinc/12/48/88/563124888.db2.gz ZYYHMIVPUJHESM-HXUWFJFHSA-N 0 3 436.596 5.930 1 0 IKAFHN COc1ccc(CNCc2ccc(-c3cccc(-c4nc5cc(F)ccc5[nH]4)c3)cc2)cc1 ZINC000045202182 563124916 /nfs/dbraw/zinc/12/49/16/563124916.db2.gz INQHEWDPFZMDTF-UHFFFAOYSA-N 0 3 437.518 6.334 1 0 IKAFHN CC(=O)N(C)[C@H]1CCN(Cc2ccc(-c3cccc(-c4nc5cc(F)ccc5[nH]4)c3)cc2)C1 ZINC000045202289 563124937 /nfs/dbraw/zinc/12/49/37/563124937.db2.gz UMHIBFZUHXYLCA-DEOSSOPVSA-N 0 3 442.538 5.089 1 0 IKAFHN Cn1nc(-c2cccc(CN[C@H]3CCc4ccccc43)c2)c2cnc(NC3CCCC3)nc21 ZINC000045202864 563125123 /nfs/dbraw/zinc/12/51/23/563125123.db2.gz ZXJAWQRMIYVOKP-DEOSSOPVSA-N 0 3 438.579 5.162 1 0 IKAFHN CN(C)Cc1ccc(-c2cccc(Nc3nccc(NC[C@H](O)c4ccccc4)n3)c2)cc1 ZINC000045210933 563125277 /nfs/dbraw/zinc/12/52/77/563125277.db2.gz SQJDGKCCZDJNLE-VWLOTQADSA-N 0 3 439.563 5.094 1 0 IKAFHN CCCCCCN1CCN(Cc2cccc(NC(=O)c3cc4ccccc4s3)c2)CC1 ZINC000045226875 563125389 /nfs/dbraw/zinc/12/53/89/563125389.db2.gz GHMPPDPIKGYHQF-UHFFFAOYSA-N 0 3 435.637 5.852 1 0 IKAFHN c1ccc(COc2ccnc(NCCCOc3cccc(CN4CCCCC4)c3)c2)cc1 ZINC000045228919 563125833 /nfs/dbraw/zinc/12/58/33/563125833.db2.gz ASQUENVVUBKLLO-UHFFFAOYSA-N 0 3 431.580 5.528 1 0 IKAFHN Cc1ccc(O)cc1Nc1ccnc2cc(-c3csc(CN(C)CCN(C)C)n3)ccc21 ZINC000045229631 563125950 /nfs/dbraw/zinc/12/59/50/563125950.db2.gz WTDHTJBBTQCBTM-UHFFFAOYSA-N 0 3 447.608 5.109 1 0 IKAFHN COc1cc(-c2cc(-c3ccc(OCCN(C)C)cc3)[nH]c2-c2ccncc2)ccc1Cl ZINC000045231102 563126232 /nfs/dbraw/zinc/12/62/32/563126232.db2.gz XDYQLKBAYSFCAF-UHFFFAOYSA-N 0 3 447.966 6.013 1 0 IKAFHN Cc1cnc(-c2ccc(NC(=O)c3coc4ccc(N5C[C@@H](C)N(C)[C@@H](C)C5)cc34)cc2)o1 ZINC000045323391 563130683 /nfs/dbraw/zinc/13/06/83/563130683.db2.gz IYQODWQEDAWPIT-CALCHBBNSA-N 0 3 444.535 5.177 1 0 IKAFHN Cc1cnc(-c2ccc(NC(=O)c3coc4ccc(N5C[C@@H](C)N(C)[C@H](C)C5)cc34)cc2)o1 ZINC000045323394 563130701 /nfs/dbraw/zinc/13/07/01/563130701.db2.gz IYQODWQEDAWPIT-IAGOWNOFSA-N 0 3 444.535 5.177 1 0 IKAFHN Fc1cc2c(cn1)C1(CCN(Cc3ccc(Oc4ccc(F)c(F)c4)cc3)CC1)OC2 ZINC000045350322 563132172 /nfs/dbraw/zinc/13/21/72/563132172.db2.gz JFJGUHDHENWREH-UHFFFAOYSA-N 0 3 426.438 5.313 1 0 IKAFHN COC(=O)[C@@H](Oc1cccc(-c2ccc3sc(C(=N)N)cc3c2)c1)c1ccc(F)cc1 ZINC000045356455 563132593 /nfs/dbraw/zinc/13/25/93/563132593.db2.gz ZZDYUWKZQWIMOJ-QFIPXVFZSA-N 0 3 434.492 5.285 1 0 IKAFHN OC1(c2ccc(Cl)cc2)CCN(CCCN(Cc2ccccc2)c2ccccc2)CC1 ZINC000045367315 563133134 /nfs/dbraw/zinc/13/31/34/563133134.db2.gz AUDBARVEWYIQPU-UHFFFAOYSA-N 0 3 435.011 5.720 1 0 IKAFHN CN1[C@@H](CC(=O)c2ccccc2)CCC[C@H]1C[C@H](OC(=O)c1cccs1)c1ccccc1 ZINC000045386122 563133825 /nfs/dbraw/zinc/13/38/25/563133825.db2.gz ZOSWTNNYZMNHNS-CUYJMHBOSA-N 0 3 447.600 6.162 1 0 IKAFHN CCCN(CCC)Cc1c(C(F)(F)F)nc2n1cc(Cl)n2-c1c(C)cc(C)cc1C ZINC000049034589 563136109 /nfs/dbraw/zinc/13/61/09/563136109.db2.gz BYSFWEDJFJGYTB-UHFFFAOYSA-N 0 3 440.941 6.344 1 0 IKAFHN COc1ccc(CC2CCN(C[C@@H](O)COc3cccc4[nH]c5ccccc5c43)CC2)cc1 ZINC000049035196 563136222 /nfs/dbraw/zinc/13/62/22/563136222.db2.gz GYVPBQWEZRVOPO-JOCHJYFZSA-N 0 3 444.575 5.024 1 0 IKAFHN c1ccc(CN(Cc2ccc(CNCc3ccccn3)cc2)[C@H]2CCCc3cccnc32)cc1 ZINC000049071124 563137797 /nfs/dbraw/zinc/13/77/97/563137797.db2.gz NJDVDIVVFUXOHL-LJAQVGFWSA-N 0 3 448.614 5.846 1 0 IKAFHN CCCc1nc(-c2ccccc2)c(CNCCCN2CCN(c3cccc(C)c3C)CC2)o1 ZINC000053297627 563141923 /nfs/dbraw/zinc/14/19/23/563141923.db2.gz WEMHSCWXHCJWNO-UHFFFAOYSA-N 0 3 446.639 5.213 1 0 IKAFHN CN1CCN(c2ccc(Nc3ccnc4ccc(-c5cccc(Cl)c5)cc43)cc2)CC1 ZINC000058537952 563144154 /nfs/dbraw/zinc/14/41/54/563144154.db2.gz XBVRPTCUVVCGKN-UHFFFAOYSA-N 0 3 428.967 6.051 1 0 IKAFHN CCN1CC[C@]2(c3cccc(OC)c3)Cc3nc4ccccc4c(-c4ccccc4)c3C[C@H]2C1 ZINC000058589954 563145335 /nfs/dbraw/zinc/14/53/35/563145335.db2.gz UEGULVGUPOVLGQ-QXNWPYRLSA-N 0 3 448.610 6.289 1 0 IKAFHN Cc1ccc([C@H]2C[C@H](O)[C@@H](n3cc(-c4ccc(F)cc4)nn3)CN2Cc2cccs2)cc1 ZINC000061923680 563149556 /nfs/dbraw/zinc/14/95/56/563149556.db2.gz MOOQRFHZJWKCHK-DSITVLBTSA-N 0 3 448.567 5.003 3 0 IKAFHN COc1ccc(C[C@H](N)c2csc(Nc3ccc(C(=O)c4ccccc4)cc3)n2)cc1 ZINC000061927497 563150209 /nfs/dbraw/zinc/15/02/09/563150209.db2.gz QZJFSNCMOFRCRL-QFIPXVFZSA-N 0 3 429.545 5.369 3 0 IKAFHN CC(C)CN1CC2(CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000062213047 563152069 /nfs/dbraw/zinc/15/20/69/563152069.db2.gz CRJZLZIFNPMFEE-QFIPXVFZSA-N 0 3 447.957 5.945 1 0 IKAFHN O=S(=O)(Cc1cc(Cl)cc(Cl)c1)NC[C@@H](c1ccccc1)N1CCCCCC1 ZINC000064277722 563152583 /nfs/dbraw/zinc/15/25/83/563152583.db2.gz GIMVWSSMBYUNSF-NRFANRHFSA-N 0 3 441.424 5.030 1 0 IKAFHN Oc1ccc2nc(-c3ccccc3)n(Cc3ccc(OCCN4CCCCC4)cc3)c2c1 ZINC000064428959 563152943 /nfs/dbraw/zinc/15/29/43/563152943.db2.gz GMZOUUGFWPQXRQ-UHFFFAOYSA-N 0 3 427.548 5.322 1 0 IKAFHN Cc1cc(C)c(-c2ccc3c(c2)[C@H](N2CCN(C)CC2)Cc2ccccc2S3)c(C)c1 ZINC000064549323 563155628 /nfs/dbraw/zinc/15/56/28/563155628.db2.gz XNFVTFMFMPGVGG-RUZDIDTESA-N 0 3 428.645 6.275 1 0 IKAFHN O=C(CCN1CC(c2ccccc2)C1)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000066098069 563158019 /nfs/dbraw/zinc/15/80/19/563158019.db2.gz MQBNGWMSHDSFPJ-NRFANRHFSA-N 0 3 443.378 5.023 1 0 IKAFHN O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)N[C@H](c1ccccc1)N2 ZINC000066099402 563158130 /nfs/dbraw/zinc/15/81/30/563158130.db2.gz KGNFAYMSUAICCE-MUUNZHRXSA-N 0 3 425.576 6.098 1 0 IKAFHN O=c1cc(OCc2ccc3ccccc3c2)ccn1-c1ccc(OCCN2CCCC2)cc1 ZINC000066262327 563160797 /nfs/dbraw/zinc/16/07/97/563160797.db2.gz OLOYPXPKAJGIQP-UHFFFAOYSA-N 0 3 440.543 5.044 1 0 IKAFHN c1ccc2c(c1)c1cnc(Nc3ccc(N4CCNCC4)cc3)nc1n2C1CCCCC1 ZINC000068149936 563160996 /nfs/dbraw/zinc/16/09/96/563160996.db2.gz WJVUVSWJHMODPQ-UHFFFAOYSA-N 0 3 426.568 5.243 1 0 IKAFHN CCN(Cc1coc(-c2ccc(OC(F)(F)F)cc2)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000072182407 563167429 /nfs/dbraw/zinc/16/74/29/563167429.db2.gz FJBCUMMNSGNIKH-NRFANRHFSA-N 0 3 445.485 5.337 1 0 IKAFHN Fc1cc(Cl)ccc1N1CCC(N[C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 ZINC000072186467 563168283 /nfs/dbraw/zinc/16/82/83/563168283.db2.gz JLLMEXHLPNTIKG-QHCPKHFHSA-N 0 3 430.354 5.876 1 0 IKAFHN CC(=O)N1CCc2ccc(C(=O)CCCN3CCC(c4ccc(Cl)cc4)CC3)cc2C1 ZINC000073156209 563169136 /nfs/dbraw/zinc/16/91/36/563169136.db2.gz UDQZYDOXQICQED-UHFFFAOYSA-N 0 3 438.999 5.087 1 0 IKAFHN CC(=O)N1CCc2sc(C(=O)CCCN3CCC(c4ccc(Cl)cc4)CC3)cc2C1 ZINC000073169303 563169776 /nfs/dbraw/zinc/16/97/76/563169776.db2.gz FSJQUAGEBVKGNR-UHFFFAOYSA-N 0 3 445.028 5.149 1 0 IKAFHN C[C@@H](c1ccc(-c2ccccc2)cc1)[C@H](N)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)F ZINC000073223138 563170920 /nfs/dbraw/zinc/17/09/20/563170920.db2.gz DOKSCYFGEKEGCR-RXYZOABWSA-N 0 3 428.910 5.560 1 0 IKAFHN C[NH+](C)CCCc1cccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2[N-]C(=S)C3)c1 ZINC000082156914 563173706 /nfs/dbraw/zinc/17/37/06/563173706.db2.gz QUFVOKRHVJFMNM-UHFFFAOYSA-N 0 3 438.000 5.330 1 0 IKAFHN CCCC[C@@H](O)CN1CCC(COc2cccc(C(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000084652119 563174928 /nfs/dbraw/zinc/17/49/28/563174928.db2.gz SRLPHDVDVZJJJW-HSZRJFAPSA-N 0 3 429.988 5.213 1 0 IKAFHN CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@H]2[C@H]3CC4=C(CCCC4)[C@@]2(CCN3CC2CC2)C1 ZINC000084671708 563175353 /nfs/dbraw/zinc/17/53/53/563175353.db2.gz PVLNUKRKZJPSBR-UZCYFLASSA-N 0 3 434.624 5.665 1 0 IKAFHN Cc1ccccc1SC[C@@H](O)CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000084690817 563176526 /nfs/dbraw/zinc/17/65/26/563176526.db2.gz KVJLRXYMXBYASK-SANMLTNESA-N 0 3 447.644 5.096 1 0 IKAFHN COc1ccc(C2CCN(C(=O)Nc3ccc4cc(CN5CCCC5)cnc4c3)CC2)cc1 ZINC000084758907 563179760 /nfs/dbraw/zinc/17/97/60/563179760.db2.gz OHSXHWRMAMCPHA-UHFFFAOYSA-N 0 3 444.579 5.251 1 0 IKAFHN CO[C@H]1Cc2cc(-c3ccc(C(C)=O)cc3)sc2C2(CCN(Cc3ccccc3)CC2)O1 ZINC000095554159 563181064 /nfs/dbraw/zinc/18/10/64/563181064.db2.gz SUUYLWKDFAAXFF-RUZDIDTESA-N 0 3 447.600 5.654 1 0 IKAFHN c1sc(-c2cccc3ccccc32)c2c1C1(CCN(Cc3ccccc3)CC1)OCC2 ZINC000095555642 563181327 /nfs/dbraw/zinc/18/13/27/563181327.db2.gz DLLJEHZSNRQWTK-UHFFFAOYSA-N 0 3 425.597 6.632 1 0 IKAFHN Cn1c(CNc2ccnc3cc(Cl)ccc32)nc(-c2ccccc2)c1CN1CCCC1 ZINC000095562409 563182688 /nfs/dbraw/zinc/18/26/88/563182688.db2.gz AAWUYTWRCPGEKD-UHFFFAOYSA-N 0 3 431.971 5.497 1 0 IKAFHN O=C(Nc1ccccc1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C4=CCCCC4)cc3)[C@@H]2C1 ZINC000095570978 563184434 /nfs/dbraw/zinc/18/44/34/563184434.db2.gz NTFQFSHLJSOGIX-GMQQYTKMSA-N 0 3 445.607 5.101 1 0 IKAFHN CN1c2ccccc2C(=O)N(c2ccccc2)[C@H]1c1ccc(CNCc2ccccc2)s1 ZINC000095584805 563188616 /nfs/dbraw/zinc/18/86/16/563188616.db2.gz TYXPKGCJOAUAFW-SANMLTNESA-N 0 3 439.584 5.833 1 0 IKAFHN O=C1CCCN1C1CCN(Cc2coc3cc(Oc4nc5ccccc5s4)ccc23)CC1 ZINC000095596504 563191521 /nfs/dbraw/zinc/19/15/21/563191521.db2.gz QBEVTSZSJWVEJZ-UHFFFAOYSA-N 0 3 447.560 5.422 1 0 IKAFHN CNc1cc(NC(=O)OC)ccc1Nc1c2c(nc3c1C=CCC3(C)C)CC(C)(C)C=C2 ZINC000095607854 563194238 /nfs/dbraw/zinc/19/42/38/563194238.db2.gz ZSKFOPXCRHTMTC-UHFFFAOYSA-N 0 3 432.568 6.335 1 0 IKAFHN c1ccc(CNCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)cc1 ZINC000096173996 563196072 /nfs/dbraw/zinc/19/60/72/563196072.db2.gz GCGNWKPWIYOIPR-UHFFFAOYSA-N 0 3 430.515 5.343 1 0 IKAFHN CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(N2CCNCC2)cc1 ZINC000096269952 563196633 /nfs/dbraw/zinc/19/66/33/563196633.db2.gz GOUCINWZTCZKDS-UHFFFAOYSA-N 0 3 445.567 5.225 1 0 IKAFHN CC(C)(C)c1ccc(-c2nc(SCCCN3CCN(c4ccccc4)CC3)n[nH]2)cc1 ZINC000096934136 563199231 /nfs/dbraw/zinc/19/92/31/563199231.db2.gz RBPCAJASKBJPTB-UHFFFAOYSA-N 0 3 435.641 5.074 1 0 IKAFHN CC(C)(C)O[C@H](CCc1ccccc1)c1ccccc1OC[C@H](O)CN1CCCCC1 ZINC000096941782 563200328 /nfs/dbraw/zinc/20/03/28/563200328.db2.gz FOPMMEATYUWXQX-ZEQKJWHPSA-N 0 3 425.613 5.401 1 0 IKAFHN COc1cc(C)cc2c1c(OC)cc(C)c2-c1c(OC)cc(OC)c2c1C[C@H](C)N[C@H]2C ZINC000095486017 560061800 /nfs/dbraw/zinc/06/18/00/560061800.db2.gz WIFADUSQCWLURQ-IRXDYDNUSA-N 0 3 435.564 5.753 1 0 biogenic,in-vitro IKAFHN Cc1cc(F)ccc1Nc1nc2ccc(OCCN(C)C)cc2c(N(C)c2ccccc2)n1 ZINC000000584809 562918199 /nfs/dbraw/zinc/91/81/99/562918199.db2.gz HYNMYGBTSOHIHG-UHFFFAOYSA-N 0 3 445.542 5.529 1 0 IKAFHN COc1ccc([S@@](=O)c2ccc(C(=O)C3CCN(C4CCCCC4)CC3)cc2)cc1 ZINC000000839059 562919311 /nfs/dbraw/zinc/91/93/11/562919311.db2.gz GTJOIOQFIDFYOI-SSEXGKCCSA-N 0 3 425.594 5.089 1 0 IKAFHN CN(Cc1ccccc1)Cc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 ZINC000001536443 562922585 /nfs/dbraw/zinc/92/25/85/562922585.db2.gz FMWMUCWMTIOHOR-UHFFFAOYSA-N 0 3 448.545 6.577 1 0 IKAFHN CN(Cc1ccccc1)Cc1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1 ZINC000001536443 562922586 /nfs/dbraw/zinc/92/25/86/562922586.db2.gz FMWMUCWMTIOHOR-UHFFFAOYSA-N 0 3 448.545 6.577 1 0 IKAFHN Cc1c(COc2ccc(F)cc2F)oc2cccc(OCCCNCc3cccnc3)c12 ZINC000001909566 562925380 /nfs/dbraw/zinc/92/53/80/562925380.db2.gz CBKBXWFRVHPWBU-UHFFFAOYSA-N 0 3 438.474 5.552 1 0 IKAFHN Cc1cc(CN2CCC(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)oc1C ZINC000012305460 562981044 /nfs/dbraw/zinc/98/10/44/562981044.db2.gz FLVWLILSGHEXLB-UHFFFAOYSA-N 0 3 428.536 5.290 1 0 IKAFHN O=C1CCN(CCc2ccccc2)CCN1[C@H](CSc1ccccc1)Cc1ccccc1 ZINC000012474420 562982218 /nfs/dbraw/zinc/98/22/18/562982218.db2.gz LZWVQDGUEMYIHW-SANMLTNESA-N 0 3 444.644 5.167 3 0 IKAFHN Nc1nc2cc3c(cc2[nH]1)CCC[C@@H]3Sc1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000013451109 562987364 /nfs/dbraw/zinc/98/73/64/562987364.db2.gz MMVXYUMFIOTUHZ-QFIPXVFZSA-N 0 3 435.574 5.148 1 0 IKAFHN Nc1nc2cc3c(cc2[nH]1)[C@@H](Sc1ccc(S(=O)(=O)c2ccccc2)cc1)CCC3 ZINC000013451109 562987366 /nfs/dbraw/zinc/98/73/66/562987366.db2.gz MMVXYUMFIOTUHZ-QFIPXVFZSA-N 0 3 435.574 5.148 1 0 IKAFHN O=C(Nc1ccccc1)Nc1ccccc1[C@H](O)CN1CCC(Cc2ccc(F)cc2)CC1 ZINC000013475801 562988982 /nfs/dbraw/zinc/98/89/82/562988982.db2.gz VXKVMPBIMSJSTA-AREMUKBSSA-N 0 3 447.554 5.458 1 0 IKAFHN CCOc1c(Br)cc(C)cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487771 562989545 /nfs/dbraw/zinc/98/95/45/562989545.db2.gz BIPPRDKHVXKAER-UHFFFAOYSA-N 0 3 444.373 5.002 1 0 IKAFHN O=c1c(Nc2ccc(C(F)(F)F)cc2)cccn1[C@H](CN1CCCC1)c1ccccc1 ZINC000013488456 562989679 /nfs/dbraw/zinc/98/96/79/562989679.db2.gz YDERVMVDVJLMFH-JOCHJYFZSA-N 0 3 427.470 5.296 1 0 IKAFHN COc1ccc([C@H](CN2CCCC2)n2cccc(-c3ccc(C(F)(F)F)cc3)c2=O)cc1 ZINC000013488446 562989693 /nfs/dbraw/zinc/98/96/93/562989693.db2.gz KKELZZUYLVXWKR-QHCPKHFHSA-N 0 3 442.481 5.228 1 0 IKAFHN COc1cccc2cc(C3CCN(C[C@H](O)COc4cccc5[nH]ccc54)CC3)sc21 ZINC000013490080 562990135 /nfs/dbraw/zinc/99/01/35/562990135.db2.gz PADYMYCKDVBYAD-IBGZPJMESA-N 0 3 436.577 5.011 1 0 IKAFHN COc1ccc2cc(C3CCN(C[C@H](O)COc4cccc5[nH]ccc54)CC3)sc2c1 ZINC000013490079 562990181 /nfs/dbraw/zinc/99/01/81/562990181.db2.gz DERHXBLKPZEOPV-IBGZPJMESA-N 0 3 436.577 5.011 1 0 IKAFHN Cc1cc2c(cccc2OC[C@@H](O)CN2CCC(c3cc4ccc(C)cc4s3)CC2)[nH]1 ZINC000013490097 562990205 /nfs/dbraw/zinc/99/02/05/562990205.db2.gz IFOQZVZSPDUWKF-NRFANRHFSA-N 0 3 434.605 5.619 1 0 IKAFHN C[C@]1(c2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc2CCN1c1ccccc1 ZINC000013523272 562991431 /nfs/dbraw/zinc/99/14/31/562991431.db2.gz AIFWSSWVFCKBHO-LJAQVGFWSA-N 0 3 442.603 5.583 1 0 IKAFHN CCN(CC)Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccc2c1-c1ccccc1 ZINC000013525341 562991617 /nfs/dbraw/zinc/99/16/17/562991617.db2.gz BRJQXSHWWUJLBF-UHFFFAOYSA-N 0 3 437.587 6.016 1 0 IKAFHN Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@H](N(C)C)c3sccc32)cc1 ZINC000013532183 562992169 /nfs/dbraw/zinc/99/21/69/562992169.db2.gz OEFAJMDMCVQKRS-NRFANRHFSA-N 0 3 433.577 5.352 1 0 IKAFHN C[C@H]1C[C@H](c2cc3cc(F)ccc3s2)CCN1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000013535663 562992328 /nfs/dbraw/zinc/99/23/28/562992328.db2.gz VXBBUYIZAQUAJB-QKLQHJQFSA-N 0 3 438.568 5.530 1 0 IKAFHN C[C@@H]1C[C@@H](c2cc3cc(F)ccc3s2)CCN1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000013535666 562992343 /nfs/dbraw/zinc/99/23/43/562992343.db2.gz VXBBUYIZAQUAJB-UWVAXJGDSA-N 0 3 438.568 5.530 1 0 IKAFHN Cc1cc2cc(Nc3ccnc4cc(-c5ccc(CN(C)CCO)cc5)sc43)ccc2[nH]1 ZINC000013588193 562995921 /nfs/dbraw/zinc/99/59/21/562995921.db2.gz CIAUVJBQJHPXQG-UHFFFAOYSA-N 0 3 442.588 5.921 1 0 IKAFHN O=C(NCC/C=C/c1ccccc1)c1ccccc1CN1CCCc2cc(O)ccc2C1 ZINC000013589151 562996236 /nfs/dbraw/zinc/99/62/36/562996236.db2.gz JZURDOJGJVJIIC-IZZDOVSWSA-N 0 3 426.560 5.174 1 0 IKAFHN CN(C)Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1 ZINC000013610347 562997804 /nfs/dbraw/zinc/99/78/04/562997804.db2.gz LIIRYFLHPZDMEC-UHFFFAOYSA-N 0 3 439.563 5.187 1 0 IKAFHN CCOC(=O)[C@H]1CCCN(CCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC000013729560 563001715 /nfs/dbraw/zinc/00/17/15/563001715.db2.gz IONXAOIHSBYWRM-IBGZPJMESA-N 0 3 436.379 5.375 1 0 IKAFHN COc1ccc2c(c1)C(CCCN1CCN(c3cccc(C(F)(F)F)c3)CC1)=CCC2 ZINC000013733297 563002038 /nfs/dbraw/zinc/00/20/38/563002038.db2.gz CEYYNGCQKHKNRD-UHFFFAOYSA-N 0 3 430.514 5.646 1 0 IKAFHN CCN(CCCCCC[C@@H]1Cc2cc(OC)c(OC)cc2C1=O)Cc1ccccc1OC ZINC000013738614 563002874 /nfs/dbraw/zinc/00/28/74/563002874.db2.gz AEFFXIUFESKRQO-HXUWFJFHSA-N 0 3 439.596 5.540 1 0 IKAFHN COc1ccc2c(c1)[C@H](CCCN1CCN(c3cccc(C(F)(F)F)c3)CC1)CCC2 ZINC000013740695 563003151 /nfs/dbraw/zinc/00/31/51/563003151.db2.gz XGJBTUNWSSZAJD-IBGZPJMESA-N 0 3 432.530 5.736 1 0 IKAFHN Cc1cc(C)cc(CO[C@@H]2C3CCN(CC3)[C@@H]2[C@@H](Cc2ccccc2)c2ccccc2)c1 ZINC000013744538 563003791 /nfs/dbraw/zinc/00/37/91/563003791.db2.gz IGJOBCGNZPJBJN-FRXPANAUSA-N 0 3 425.616 6.309 1 0 IKAFHN Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCC[C@H](N(C)C)c4ccccc43)cc2)cc1 ZINC000013757967 563004627 /nfs/dbraw/zinc/00/46/27/563004627.db2.gz PHPULJQCMNHJMS-DEOSSOPVSA-N 0 3 427.548 5.291 1 0 IKAFHN O=C(c1ccccc1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000013817778 563009610 /nfs/dbraw/zinc/00/96/10/563009610.db2.gz CHMIKIFFWBMPHB-UHFFFAOYSA-N 0 3 449.392 5.761 1 0 IKAFHN O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2[nH]c3ccccc3c2[C@H]1CN1CCCC1 ZINC000013823977 563010343 /nfs/dbraw/zinc/01/03/43/563010343.db2.gz SRBDHMOWSKFOIL-JOCHJYFZSA-N 0 3 442.390 5.239 1 0 IKAFHN CC(C)C[C@H](CSc1ccc(Br)cc1)N1CCN(CC(C)C)CCC1=O ZINC000013829666 563010907 /nfs/dbraw/zinc/01/09/07/563010907.db2.gz FKMYFACHUJITIR-LJQANCHMSA-N 0 3 441.479 5.146 1 0 IKAFHN CCCN1CCC(=O)N([C@@H](CSc2ccc(Br)cc2)c2ccccc2)CC1 ZINC000013830350 563011018 /nfs/dbraw/zinc/01/10/18/563011018.db2.gz OZCKZSBDMAXLIS-NRFANRHFSA-N 0 3 447.442 5.227 1 0 IKAFHN O=C(c1c2ccc(O)cc2sc1C1CCCC1)c1ccc(OCCN2CCCCC2)cc1 ZINC000013834333 563011960 /nfs/dbraw/zinc/01/19/60/563011960.db2.gz KVQCSLFQMUEDOR-UHFFFAOYSA-N 0 3 449.616 6.360 1 0 IKAFHN CCc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(Cl)cc3)ccc2n1 ZINC000013835531 563012145 /nfs/dbraw/zinc/01/21/45/563012145.db2.gz YKCHUWVQEWMLGS-UHFFFAOYSA-N 0 3 431.923 5.864 1 0 IKAFHN CCN(CC)C(=O)c1ccc(N(c2ccccc2)[C@@H]2CCN(CC=C(C)C)C[C@@H]2C)cc1 ZINC000013862308 563013023 /nfs/dbraw/zinc/01/30/23/563013023.db2.gz GJTOJAHUUWXEKP-WNCULLNHSA-N 0 3 433.640 5.983 1 0 IKAFHN COc1ccccc1[C@H](O)/C=C1\C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 ZINC000013901715 563013845 /nfs/dbraw/zinc/01/38/45/563013845.db2.gz ACNNRRQKRUXREB-RYVVGHGNSA-N 0 3 425.572 5.581 1 0 IKAFHN CCCc1ccccc1N1CCN(CCCCCC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000014975964 563016858 /nfs/dbraw/zinc/01/68/58/563016858.db2.gz IIEKSILFYZPUHU-MHZLTWQESA-N 0 3 447.667 5.515 1 0 IKAFHN CCc1ccc([N-]c2n[n+](-c3ccccc3)c(-c3c(Cl)cccc3Cl)s2)cc1 ZINC000015936902 563019100 /nfs/dbraw/zinc/01/91/00/563019100.db2.gz IUQQRNMLGHZGPD-UHFFFAOYSA-N 0 3 427.380 6.700 3 0 IKAFHN O=C1CCN(Cc2ccccc2)CCN1[C@H](CSc1ccccc1)Cc1ccccc1 ZINC000015937567 563019284 /nfs/dbraw/zinc/01/92/84/563019284.db2.gz OXVIPFYPSAGJTP-VWLOTQADSA-N 0 3 430.617 5.125 3 0 IKAFHN Fc1ccc([C@@H](OCCN2CCN(CCCc3ccccc3)CC2)c2ccccc2)cc1 ZINC000022925623 563025944 /nfs/dbraw/zinc/02/59/44/563025944.db2.gz NRFRVJIPDSIXRE-NDEPHWFRSA-N 0 3 432.583 5.182 1 0 IKAFHN C[C@H]1CN(Cc2ccccc2)CCN1[C@@H](c1ccc(C(C)(C)C)cc1)c1cccc(O)c1 ZINC000022939486 563026817 /nfs/dbraw/zinc/02/68/17/563026817.db2.gz AHXMJVFHPCQZOY-DWACAAAGSA-N 0 3 428.620 5.985 1 0 IKAFHN COc1ccc(CCCN2CCC(=CCC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000025997657 563028140 /nfs/dbraw/zinc/02/81/40/563028140.db2.gz INHYDXFTQIQZGQ-UHFFFAOYSA-N 0 3 425.616 6.872 1 0 IKAFHN O=C1CCCCN1CCCCN1CC[C@@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1 ZINC000026187916 563029817 /nfs/dbraw/zinc/02/98/17/563029817.db2.gz WALAJAAZARPECC-ILBGXUMGSA-N 0 3 439.550 5.067 1 0 IKAFHN COc1ccc(COc2cc(N)c(Cl)cc2C(=O)CCCCN2CCCCC2)cc1 ZINC000026504169 563032852 /nfs/dbraw/zinc/03/28/52/563032852.db2.gz IIRFFNXBPUXDOB-UHFFFAOYSA-N 0 3 430.976 5.349 1 0 IKAFHN CCC(=O)N(c1ccccc1F)C1(c2ccccc2)CCN(CCc2ccccc2)CC1 ZINC000026508741 563033110 /nfs/dbraw/zinc/03/31/10/563033110.db2.gz DBAISLXCWSRVSD-UHFFFAOYSA-N 0 3 430.567 5.803 1 0 IKAFHN CC/C(=C(\c1ccc(OCCN(C)C)cc1)c1ccc([S@](C)=O)cc1)c1ccccc1 ZINC000026567756 563033174 /nfs/dbraw/zinc/03/31/74/563033174.db2.gz JRYLBWPPXFCWGL-OGBLTYHFSA-N 0 3 433.617 5.734 1 0 IKAFHN CC/C(=C(\c1ccc(OCCN(C)C)cc1)c1ccc([S@@](C)=O)cc1)c1ccccc1 ZINC000026567753 563033178 /nfs/dbraw/zinc/03/31/78/563033178.db2.gz JRYLBWPPXFCWGL-OOHFRUMDSA-N 0 3 433.617 5.734 1 0 IKAFHN Oc1ccc2c(c1)S[C@H](C1CCCC1)[C@H](c1ccc(OCCN3CCCCC3)cc1)O2 ZINC000026573494 563033440 /nfs/dbraw/zinc/03/34/40/563033440.db2.gz AHXSKOONHHFRDE-IZZNHLLZSA-N 0 3 439.621 6.042 1 0 IKAFHN c1ccc(C2CCN(C[C@H]3C[C@@H]4c5ccccc5Sc5ccccc5[C@H]4O3)CC2)cc1 ZINC000026663137 563035085 /nfs/dbraw/zinc/03/50/85/563035085.db2.gz ODJIGTDOQQQJKM-WSOLHVCVSA-N 0 3 427.613 6.645 1 0 IKAFHN CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CCC(N)=O)CC1 ZINC000026665342 563035212 /nfs/dbraw/zinc/03/52/12/563035212.db2.gz ZZHNOVUUFUFNLN-ROUUACIJSA-N 0 3 428.617 5.218 1 0 IKAFHN COC(=O)[C@H]1CCC[C@@H](NCc2n[nH]c3cccc(OCc4ccc(C(C)(C)C)cc4)c23)C1 ZINC000026727625 563035795 /nfs/dbraw/zinc/03/57/95/563035795.db2.gz AGKXRBAYJBHVLK-PZJWPPBQSA-N 0 3 449.595 5.261 1 0 IKAFHN COC(=O)[C@@H]1CCC[C@@H](NCc2n[nH]c3cccc(OCc4ccc(C(C)(C)C)cc4)c23)C1 ZINC000026727621 563035867 /nfs/dbraw/zinc/03/58/67/563035867.db2.gz AGKXRBAYJBHVLK-TZIWHRDSSA-N 0 3 449.595 5.261 1 0 IKAFHN C[C@@H]1c2ccccc2[C@@H](CN2CCCC2)N(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H]1C ZINC000026817585 563036774 /nfs/dbraw/zinc/03/67/74/563036774.db2.gz PLYOATQTXPMHSZ-YGKZAACZSA-N 0 3 431.407 5.707 1 0 IKAFHN COc1ccc2c(c1)O[C@H](c1ccc(OCCN3CCCC3)cc1)[C@@H](c1ccccc1)C2=O ZINC000026946150 563038066 /nfs/dbraw/zinc/03/80/66/563038066.db2.gz KQGPDKRGLZIJCH-XTEPFMGCSA-N 0 3 443.543 5.270 1 0 IKAFHN COc1ccc2c(c1)O[C@H](c1ccc(OCCN3CCCC3)cc1)C(c1ccccc1)=C2 ZINC000026957171 563038230 /nfs/dbraw/zinc/03/82/30/563038230.db2.gz HWTDZENDPWBZGE-MUUNZHRXSA-N 0 3 427.544 5.844 1 0 IKAFHN COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N2C ZINC000027214049 563041063 /nfs/dbraw/zinc/04/10/63/563041063.db2.gz XTEKMJCKVNQZRJ-WOZUAGRISA-N 0 3 434.363 5.124 1 0 IKAFHN Cc1cc(N)c2cc(N(C)C(=O)c3ccccc3COc3ccc(Cl)cc3)ccc2n1 ZINC000027523250 563042874 /nfs/dbraw/zinc/04/28/74/563042874.db2.gz WRKAKBAZZKRZQC-UHFFFAOYSA-N 0 3 431.923 5.634 1 0 IKAFHN c1ccc(C(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc2)cc1 ZINC000027529259 563043361 /nfs/dbraw/zinc/04/33/61/563043361.db2.gz HIAHXCOPTVPERH-UHFFFAOYSA-N 0 3 432.611 6.226 1 0 IKAFHN COc1ccc2[nH]cc(C3=CCN(C[C@H]4CCc5c(c6ccccc6n5C)C4=O)CC3)c2c1 ZINC000027738803 563046470 /nfs/dbraw/zinc/04/64/70/563046470.db2.gz YIXGURIZOKSKEU-LJQANCHMSA-N 0 3 439.559 5.203 1 0 IKAFHN COc1cccc2c1CC[C@H](N1CCCC1)[C@H]2N(C)C(=O)Cc1c(Cl)cccc1Cl ZINC000027844914 563047288 /nfs/dbraw/zinc/04/72/88/563047288.db2.gz LXMUPOIKIUOICX-URXFXBBRSA-N 0 3 447.406 5.155 1 0 IKAFHN CSc1sc(C(=N)N)cc1-c1csc(Nc2ccc(C)cc2Br)n1 ZINC000028005225 563049384 /nfs/dbraw/zinc/04/93/84/563049384.db2.gz BBZQWPQSGQXDJT-UHFFFAOYSA-N 0 3 439.429 5.692 1 0 IKAFHN CC(C)c1ccccc1O[C@@H](CCN1CCC(n2c3ccccc3[nH]c2=O)CC1)C(C)C ZINC000028352378 563053232 /nfs/dbraw/zinc/05/32/32/563053232.db2.gz DCYSPNIVUPHBEY-VWLOTQADSA-N 0 3 435.612 5.584 1 0 IKAFHN CC(C)[C@@H](CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)Oc1cc(F)ccc1Cl ZINC000028356119 563053400 /nfs/dbraw/zinc/05/34/00/563053400.db2.gz IBFJWHIXOKNTCN-JOCHJYFZSA-N 0 3 445.966 5.253 1 0 IKAFHN O=C1[C@H](c2ccc(Cl)c(Cl)c2)CC=CCN1[C@@H](CN1CCCC1)c1ccccc1 ZINC000028374053 563053850 /nfs/dbraw/zinc/05/38/50/563053850.db2.gz DVTNAPPKBSPOMR-REWPJTCUSA-N 0 3 429.391 5.703 1 0 IKAFHN O=C1[C@H](Oc2ccc(Cl)c(Cl)c2)CC=CCN1[C@@H](CN1CCCC1)c1ccccc1 ZINC000028372504 563053853 /nfs/dbraw/zinc/05/38/53/563053853.db2.gz XNHYWJKLNSIKRT-XZOQPEGZSA-N 0 3 445.390 5.366 1 0 IKAFHN O=C1[C@@H](Oc2ccc(Cl)c(Cl)c2)CC=CCN1[C@@H](CN1CCCC1)c1ccccc1 ZINC000028372512 563053858 /nfs/dbraw/zinc/05/38/58/563053858.db2.gz XNHYWJKLNSIKRT-GOTSBHOMSA-N 0 3 445.390 5.366 1 0 IKAFHN O=C1[C@@H](c2ccc(Cl)c(Cl)c2)CC=CCN1[C@@H](CN1CCCC1)c1ccccc1 ZINC000028374059 563053869 /nfs/dbraw/zinc/05/38/69/563053869.db2.gz DVTNAPPKBSPOMR-OFNKIYASSA-N 0 3 429.391 5.703 1 0 IKAFHN COc1ccc(CN2CCC(N3C(=O)Nc4ccccc4[C@@H]3c3ccccc3)CC2)cc1 ZINC000028568009 563058434 /nfs/dbraw/zinc/05/84/34/563058434.db2.gz FYYBHVIEVZMBFP-SANMLTNESA-N 0 3 427.548 5.297 1 0 IKAFHN O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1ccccc1Cn1ccc2cnccc21 ZINC000028572297 563059574 /nfs/dbraw/zinc/05/95/74/563059574.db2.gz XANYKIIYICQXDQ-UHFFFAOYSA-N 0 3 427.838 5.505 1 0 IKAFHN CC(C)(C)[C@@H](NC[C@H](O)COc1ccccc1C(=O)CCc1ccccc1)c1ccccc1 ZINC000028637024 563059870 /nfs/dbraw/zinc/05/98/70/563059870.db2.gz NXLSPYIPMYWKMG-CUBQBAPOSA-N 0 3 445.603 5.619 1 0 IKAFHN CC(C)[C@@H](NC[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1)c1ccccc1 ZINC000028636817 563059891 /nfs/dbraw/zinc/05/98/91/563059891.db2.gz IMSAUJVBNBXQTC-UFHPHHKVSA-N 0 3 431.576 5.229 1 0 IKAFHN Cc1cccc(C)c1Nc1ncc(-c2ccc(OC[C@H]3CCCN(C)C3)cc2)n2cncc12 ZINC000028639997 563060057 /nfs/dbraw/zinc/06/00/57/563060057.db2.gz ZMNIUTKMAXSZLK-NRFANRHFSA-N 0 3 441.579 5.477 1 0 IKAFHN O=C(Nc1ccc(F)c(Cl)c1)N(CCN1CCCC1)[C@@H]1CC=C(c2ccc[nH]2)CC1 ZINC000028650218 563061114 /nfs/dbraw/zinc/06/11/14/563061114.db2.gz COSMCCAKONHKTJ-LJQANCHMSA-N 0 3 430.955 5.373 1 0 IKAFHN c1ccc(-c2cccc(CN3[C@@H]4CC[C@H]3CN(Cc3cccc(-c5ccccc5)c3)C4)c2)cc1 ZINC000028707587 563062183 /nfs/dbraw/zinc/06/21/83/563062183.db2.gz UQKBTCGRCAKCIO-MEKGRNQZSA-N 0 3 444.622 6.869 1 0 IKAFHN O=C(Nc1cc(F)cc(C(F)(F)F)c1)NC1CCN(CC2=CCCCCCC2)CC1 ZINC000028708499 563062308 /nfs/dbraw/zinc/06/23/08/563062308.db2.gz SBZJQHANYRDHRT-UHFFFAOYSA-N 0 3 427.486 5.711 1 0 IKAFHN CC1(C)[C@@H]2C[C@H]1C(CN1CCC(NC(=O)Nc3cncc(-c4cccs4)c3)CC1)=CC2 ZINC000028708694 563062382 /nfs/dbraw/zinc/06/23/82/563062382.db2.gz CSKIRSQXSLFNLF-UGKGYDQZSA-N 0 3 436.625 5.388 1 0 IKAFHN COc1cc2cc(-c3ccc(CN(C)Cc4ccccc4C)cc3)c(=O)oc2cc1OC ZINC000028710688 563062662 /nfs/dbraw/zinc/06/26/62/563062662.db2.gz XZUBXCWVPOEDDO-UHFFFAOYSA-N 0 3 429.516 5.418 1 0 IKAFHN CCCN[C@H](c1ccc(Cl)cc1Cl)[C@H](NCCC)c1ccc(Cl)cc1Cl ZINC000028764628 563063944 /nfs/dbraw/zinc/06/39/44/563063944.db2.gz FASYCQWBVNXZFV-WOJBJXKFSA-N 0 3 434.238 7.082 1 0 IKAFHN COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCCN1CCC(C)CC1 ZINC000028819796 563065246 /nfs/dbraw/zinc/06/52/46/563065246.db2.gz AJQRQOPZYZMBLC-UHFFFAOYSA-N 0 3 449.378 5.273 1 0 IKAFHN O=C(C1CCCCC1)N1CCC[C@H]1CCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000028820021 563065258 /nfs/dbraw/zinc/06/52/58/563065258.db2.gz KKQKXXNCYFHKTJ-HSZRJFAPSA-N 0 3 432.052 5.204 1 0 IKAFHN C[C@@H](CO)NCc1ccc(CN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)cc1 ZINC000028821666 563065439 /nfs/dbraw/zinc/06/54/39/563065439.db2.gz XLBZAYNWHDBFKB-INIZCTEOSA-N 0 3 444.522 5.979 1 0 IKAFHN CCN(C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(NCC(C)(C)C)n1 ZINC000028822167 563065657 /nfs/dbraw/zinc/06/56/57/563065657.db2.gz SSEZZDCBYKEBDT-UHFFFAOYSA-N 0 3 446.574 5.507 1 0 IKAFHN COc1ccccc1-c1ccc(CNC(=O)NC2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000028874119 563067623 /nfs/dbraw/zinc/06/76/23/563067623.db2.gz JACCGHBBUQQZDC-UHFFFAOYSA-N 0 3 443.591 5.134 1 0 IKAFHN Clc1ccc([C@@H](c2ccccc2)c2c(OCCN3CCCC3)ccc3ccccc32)cc1 ZINC000028955514 563070162 /nfs/dbraw/zinc/07/01/62/563070162.db2.gz RCLCLVJEZISQDV-MUUNZHRXSA-N 0 3 442.002 7.148 1 0 IKAFHN Fc1ccc([C@H](c2ccccc2)c2c(OCCN3CCCC3)ccc3ccccc32)cc1 ZINC000028955579 563070172 /nfs/dbraw/zinc/07/01/72/563070172.db2.gz LSUQXCGHACQRNU-NDEPHWFRSA-N 0 3 425.547 6.634 1 0 IKAFHN Fc1ccc([C@@H](c2ccccc2)c2c(OCCN3CCCCC3)ccc3ccccc32)cc1 ZINC000028955581 563070182 /nfs/dbraw/zinc/07/01/82/563070182.db2.gz DMMQOUSUPSOOPY-GDLZYMKVSA-N 0 3 439.574 7.024 1 0 IKAFHN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2N[C@@H]1CCCc2ccccc21 ZINC000029042733 563072249 /nfs/dbraw/zinc/07/22/49/563072249.db2.gz RPWRCPNRVFIHNA-JWQCQUIFSA-N 0 3 440.631 6.927 1 0 IKAFHN CC[C@]1(CCCCN2CCN(c3ccc(Cl)cc3)CC2)c2cc(Cl)ccc2NC1=O ZINC000029052504 563073087 /nfs/dbraw/zinc/07/30/87/563073087.db2.gz DHGGOBPBRRSUQD-DEOSSOPVSA-N 0 3 446.422 5.586 1 0 IKAFHN CC(C)C[C@@]1(CCCCN2CCN(c3cccc(Cl)c3)CC2)c2ccccc2NC1=O ZINC000029052539 563073126 /nfs/dbraw/zinc/07/31/26/563073126.db2.gz WCILESILEVDHCT-SANMLTNESA-N 0 3 440.031 5.569 1 0 IKAFHN CC[C@]1(CCCCN2CCN(c3ccc(Cl)cc3)CC2)C(=O)Nc2ccc(F)cc21 ZINC000029052530 563073130 /nfs/dbraw/zinc/07/31/30/563073130.db2.gz ISWLMFBTCIVZDN-XMMPIXPASA-N 0 3 429.967 5.072 1 0 IKAFHN O[C@H](CCN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 ZINC000029056421 563073374 /nfs/dbraw/zinc/07/33/74/563073374.db2.gz GAKAYJNKCDLKCE-HZFUHODCSA-N 0 3 444.594 5.230 1 0 in-vivo IKAFHN CC[C@]1(CCCCN2CCN(c3ccc(Cl)cc3)CC2)C(=O)Nc2cc(F)ccc21 ZINC000029055368 563073417 /nfs/dbraw/zinc/07/34/17/563073417.db2.gz QFHWIGIQQPTXBG-XMMPIXPASA-N 0 3 429.967 5.072 1 0 IKAFHN O=C(c1ccncc1)N1CCC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1 ZINC000029133289 563075963 /nfs/dbraw/zinc/07/59/63/563075963.db2.gz KHWFDRKDQCSBEW-UHFFFAOYSA-N 0 3 441.575 5.392 1 0 IKAFHN O=C1c2ccccc2O[C@H](c2ccc(OCCN3CCCCC3)cc2)[C@@H]1c1ccc(O)cc1 ZINC000029218645 563076831 /nfs/dbraw/zinc/07/68/31/563076831.db2.gz DJGVRFOZFQIQPQ-IXCJQBJRSA-N 0 3 443.543 5.357 1 0 IKAFHN CN(C)CCOc1ccc([C@]2(c3ccccc3)[C@H](c3ccccc3)C2(Cl)Cl)cc1 ZINC000029406398 563079518 /nfs/dbraw/zinc/07/95/18/563079518.db2.gz IDPUGYXWCKNQJB-BJKOFHAPSA-N 0 3 426.387 5.884 1 0 IKAFHN CCN(c1nc2ccccc2n1Cc1ccccc1)C1CCN(CCc2ccccc2)CC1 ZINC000029560330 563082311 /nfs/dbraw/zinc/08/23/11/563082311.db2.gz RLGDXQWMRRQKOC-UHFFFAOYSA-N 0 3 438.619 5.618 1 0 IKAFHN Fc1ccc(Cn2c3ccccc3nc2NC2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000029567577 563082737 /nfs/dbraw/zinc/08/27/37/563082737.db2.gz WVOZXGZNQPYOQX-RMKNXTFCSA-N 0 3 440.566 5.813 1 0 IKAFHN c1ccc(Cn2c3ccccc3nc2NC2CCN(CCOc3ccccc3)CC2)cc1 ZINC000029569654 563082979 /nfs/dbraw/zinc/08/29/79/563082979.db2.gz MMSACAMADRXBRY-UHFFFAOYSA-N 0 3 426.564 5.040 1 0 IKAFHN C[C@@H](OC[C@@]1(c2ccccc2)CCCCN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000034637418 563086681 /nfs/dbraw/zinc/08/66/81/563086681.db2.gz QMCSRVRYDUVHNB-FOIQADDNSA-N 0 3 431.420 6.471 1 0 IKAFHN O=C1N(Cc2ccccc2)[C@H](c2ccccc2)CN1C1CCN(Cc2ccccc2)CC1 ZINC000034802138 563087626 /nfs/dbraw/zinc/08/76/26/563087626.db2.gz HEOLOYBLVYPIDH-MHZLTWQESA-N 0 3 425.576 5.330 1 0 IKAFHN COc1ccc(/C=C2\C[C@H](c3ccc(OCCN(C)C)cc3)Oc3cc(OC)ccc32)cc1 ZINC000034985716 563088670 /nfs/dbraw/zinc/08/86/70/563088670.db2.gz KPXUCKFPNUQCPJ-DHCKTRPCSA-N 0 3 445.559 5.709 1 0 IKAFHN COc1ccc(/C=C2\C[C@@H](c3ccc(OCCN(C)C)cc3)Oc3cc(OC)ccc32)cc1 ZINC000034985715 563088704 /nfs/dbraw/zinc/08/87/04/563088704.db2.gz KPXUCKFPNUQCPJ-VWTQUNACSA-N 0 3 445.559 5.709 1 0 IKAFHN c1sc(Nc2cccc3ccccc32)nc1CN(CC1CCCCC1)CC1CCCCC1 ZINC000036159695 563091434 /nfs/dbraw/zinc/09/14/34/563091434.db2.gz UWOWEDOVRFXUHU-UHFFFAOYSA-N 0 3 447.692 8.003 1 0 IKAFHN CN1CC[C@](O)(c2ccc(Cl)c(Cl)c2)[C@H]([C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000036177272 563091600 /nfs/dbraw/zinc/09/16/00/563091600.db2.gz RRWQOIKRLCJAFP-AGRHKRQWSA-N 0 3 435.178 5.173 1 0 IKAFHN CN(C)[C@H]1CCN(c2ccc(-c3coc4cc(-c5ccc(Cl)cc5)ccc4c3=O)cn2)C1 ZINC000036351550 563093248 /nfs/dbraw/zinc/09/32/48/563093248.db2.gz WUOVBRPWEZTIPN-NRFANRHFSA-N 0 3 445.950 5.316 1 0 IKAFHN CCO[C@H]1O[C@H]2C[C@@](C)(O)[C@H](CC/C(C)=C/CC3OC(=O)C=C3C)[C@@]3(C)CCC[C@]1(C)[C@H]23 ZINC000040422740 563102506 /nfs/dbraw/zinc/10/25/06/563102506.db2.gz DKAONKMYHABJMA-XDQACURWSA-N 0 3 446.628 5.320 1 0 IKAFHN OC[C@H](N[C@]1(c2ccccc2)c2ccccc2C[C@@H]1Cc1ccccc1)[C@H](O)c1ccccc1 ZINC000040527611 563104519 /nfs/dbraw/zinc/10/45/19/563104519.db2.gz YCEGDEQDUXNFIY-LYBRAKKWSA-N 0 3 449.594 5.029 1 0 IKAFHN COc1ccccc1N1CCN(CCCCCCSc2nc3ccccc3s2)CC1 ZINC000040916098 563111347 /nfs/dbraw/zinc/11/13/47/563111347.db2.gz AZRTYWLFALZEFH-UHFFFAOYSA-N 0 3 441.666 5.780 1 0 in-vitro IKAFHN c1c2ccc(C3=NCCN3)cc2oc1-c1cccc(OCCCCCOc2ccccc2)c1 ZINC000043017659 563116966 /nfs/dbraw/zinc/11/69/66/563116966.db2.gz OAXRAIHRZVFYIO-UHFFFAOYSA-N 0 3 440.543 6.078 1 0 IKAFHN Cc1ccc(-n2c(-c3ncccc3Cl)nc(CN[C@H]3CC[C@@H](F)C3)c2C(C)C)cn1 ZINC000043122541 563118987 /nfs/dbraw/zinc/11/89/87/563118987.db2.gz QDXKTBFIOVZINL-SJORKVTESA-N 0 3 427.955 5.395 1 0 IKAFHN CCN(CC)C1(c2nc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cs2)CCOCC1 ZINC000043205398 563119619 /nfs/dbraw/zinc/11/96/19/563119619.db2.gz GXWDJBMYGJCJFQ-UHFFFAOYSA-N 0 3 444.685 6.458 1 0 IKAFHN O=C(NCCCCN1CCC(c2nc3ccccc3s2)CC1)c1cc2ccccc2[nH]1 ZINC000045167886 563122439 /nfs/dbraw/zinc/12/24/39/563122439.db2.gz GGPYHZDBXZUHDB-UHFFFAOYSA-N 0 3 432.593 5.167 1 0 IKAFHN O=C(c1ccc(Cl)c(Cl)c1)N1CCc2c3ccccc3[nH]c2[C@@H]1CN1CCCC1 ZINC000045187418 563122880 /nfs/dbraw/zinc/12/28/80/563122880.db2.gz GXAUAYFFESGQAK-NRFANRHFSA-N 0 3 428.363 5.310 1 0 IKAFHN O=C(c1ccc(Cl)c(Cl)c1)N1CCc2c3ccccc3[nH]c2[C@H]1CN1CCCC1 ZINC000045187421 563122894 /nfs/dbraw/zinc/12/28/94/563122894.db2.gz GXAUAYFFESGQAK-OAQYLSRUSA-N 0 3 428.363 5.310 1 0 IKAFHN COCCNCc1ccc(-c2ccc3c(c2)nccc3Nc2ccc(F)cc2Cl)o1 ZINC000045187976 563122986 /nfs/dbraw/zinc/12/29/86/563122986.db2.gz BRUUHHCAPSBTDC-UHFFFAOYSA-N 0 3 425.891 5.767 1 0 IKAFHN Cc1cccc(CN2CCCN(Cc3ccc(C(=O)Nc4ccc(C)c(F)c4)cc3)CC2)c1 ZINC000045190706 563123567 /nfs/dbraw/zinc/12/35/67/563123567.db2.gz DSJAKDPYPOLWEK-UHFFFAOYSA-N 0 3 445.582 5.403 1 0 IKAFHN COCCN1CCN(Cc2ccc(-c3ccc(-c4nc5c(cccc5C)[nH]4)s3)cc2)CC1 ZINC000045190676 563123607 /nfs/dbraw/zinc/12/36/07/563123607.db2.gz OXKZOXGTAOXBAL-UHFFFAOYSA-N 0 3 446.620 5.031 1 0 IKAFHN COCCN1CCN(Cc2ccc(-c3ccc(-c4nc5cccc(C)c5[nH]4)s3)cc2)CC1 ZINC000045190676 563123608 /nfs/dbraw/zinc/12/36/08/563123608.db2.gz OXKZOXGTAOXBAL-UHFFFAOYSA-N 0 3 446.620 5.031 1 0 IKAFHN O=C(Nc1ccc(Cl)cc1)c1ccc(CN2CCCN(Cc3ccsc3)CC2)cc1 ZINC000045190750 563123626 /nfs/dbraw/zinc/12/36/26/563123626.db2.gz JQPHCMRZKMLRBY-UHFFFAOYSA-N 0 3 440.012 5.362 1 0 IKAFHN CC(=O)N(C)[C@H]1CCN(Cc2cccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)cc3)c2)C1 ZINC000045191581 563123694 /nfs/dbraw/zinc/12/36/94/563123694.db2.gz IKQCEUSIFNIATQ-DEOSSOPVSA-N 0 3 442.538 5.089 1 0 IKAFHN CC(=O)N(C)[C@@H]1CCN(Cc2ccc(-c3cccc(-c4nc5cc(F)ccc5[nH]4)c3)cc2)C1 ZINC000045202287 563124958 /nfs/dbraw/zinc/12/49/58/563124958.db2.gz UMHIBFZUHXYLCA-XMMPIXPASA-N 0 3 442.538 5.089 1 0 IKAFHN CCN1CC[C@]2(c3cccc(OC)c3)Cc3nc4ccccc4c(-c4ccccc4)c3C[C@@H]2C1 ZINC000045226853 563125397 /nfs/dbraw/zinc/12/53/97/563125397.db2.gz UEGULVGUPOVLGQ-WBBHLRKXSA-N 0 3 448.610 6.289 1 0 IKAFHN Cc1cccc(CN2CCCN(Cc3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)CC2)c1 ZINC000045228541 563125738 /nfs/dbraw/zinc/12/57/38/563125738.db2.gz DYMPEUBOENVHAH-UHFFFAOYSA-N 0 3 448.010 5.609 1 0 IKAFHN CC(=O)Nc1cccc(CNCc2ccc(-c3cnc(N4CCCC(C)(C)C4)nc3)cc2)c1 ZINC000045228948 563125864 /nfs/dbraw/zinc/12/58/64/563125864.db2.gz PZYXOMVJXROVHH-UHFFFAOYSA-N 0 3 443.595 5.018 1 0 IKAFHN O[C@H](CNCc1ccccc1)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 ZINC000045230240 563126131 /nfs/dbraw/zinc/12/61/31/563126131.db2.gz WMRFZVDNYFZHFV-GDLZYMKVSA-N 0 3 439.555 5.668 1 0 IKAFHN CC(C)c1ccc(CN2CCC(NC(=O)c3ccc(-c4ccccc4F)s3)CC2)cc1 ZINC000045303216 563129723 /nfs/dbraw/zinc/12/97/23/563129723.db2.gz YFWNVYLVHOPFIY-UHFFFAOYSA-N 0 3 436.596 6.072 1 0 IKAFHN CN(C)CCNCc1ccc(-c2ccc3c(c2)nccc3Nc2ccc(F)cc2Cl)o1 ZINC000045321712 563130274 /nfs/dbraw/zinc/13/02/74/563130274.db2.gz IKNPKTVJYFMFKN-UHFFFAOYSA-N 0 3 438.934 5.682 1 0 IKAFHN CC(C)c1ccc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)s3)CC2)cc1 ZINC000045321764 563130278 /nfs/dbraw/zinc/13/02/78/563130278.db2.gz WUKJRPJQSGERPK-UHFFFAOYSA-N 0 3 436.596 6.072 1 0 IKAFHN CC(C)c1ccc(CN2CC[C@H](CNC(=O)c3cc(-c4ccccc4F)cs3)C2)cc1 ZINC000045322085 563130343 /nfs/dbraw/zinc/13/03/43/563130343.db2.gz KNYWTMDGRGSBNL-HXUWFJFHSA-N 0 3 436.596 5.930 1 0 IKAFHN CCc1ccc(NC(=O)c2ccc(CN3CCCN(Cc4ccc(C)s4)CC3)cc2)cc1 ZINC000045335576 563131276 /nfs/dbraw/zinc/13/12/76/563131276.db2.gz DNSWTHMJBNREMD-UHFFFAOYSA-N 0 3 447.648 5.579 1 0 IKAFHN OC1(c2ccc(Cl)cc2)CCN(CCO[C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000045357882 563132796 /nfs/dbraw/zinc/13/27/96/563132796.db2.gz WZEIKAWGDAAIIE-RUZDIDTESA-N 0 3 439.958 5.569 1 0 IKAFHN Clc1cccc(/C=C(\c2ccccc2)N2CCN(CCCCc3ccccc3)CC2)c1 ZINC000045365087 563132974 /nfs/dbraw/zinc/13/29/74/563132974.db2.gz TWRMHPQWXFJRPM-WEMUOSSPSA-N 0 3 431.023 6.479 1 0 IKAFHN CCCCN(CC)Cc1c(C(F)(F)F)nc2n1cc(Cl)n2-c1c(C)cc(C)cc1C ZINC000049052200 563136946 /nfs/dbraw/zinc/13/69/46/563136946.db2.gz ALENSGWGHGELMK-UHFFFAOYSA-N 0 3 440.941 6.344 1 0 IKAFHN c1ccc(CN(Cc2ccc(CNCc3ccccn3)cc2)[C@@H]2CCCc3cccnc32)cc1 ZINC000049071121 563137783 /nfs/dbraw/zinc/13/77/83/563137783.db2.gz NJDVDIVVFUXOHL-GDLZYMKVSA-N 0 3 448.614 5.846 1 0 IKAFHN CN(Cc1ccc(C(=O)Nc2ccccc2N)cc1)Cc1ccc(-c2cccs2)cc1 ZINC000049808002 563140241 /nfs/dbraw/zinc/14/02/41/563140241.db2.gz BRSWNMBVHJCSLC-UHFFFAOYSA-N 0 3 427.573 5.882 1 0 IKAFHN CSc1ccc(-c2ccc3nccc(Nc4ccc(N5CCN(C)CC5)cc4)c3c2)cc1 ZINC000058534742 563143963 /nfs/dbraw/zinc/14/39/63/563143963.db2.gz WKWSSSBOFOOKQN-UHFFFAOYSA-N 0 3 440.616 6.119 1 0 IKAFHN CCCCN1C[C@H](C(=O)OC2CCCCC2)C[C@@H]2c3cccc4c3c(cn4C(C)C)C[C@H]21 ZINC000058558779 563144474 /nfs/dbraw/zinc/14/44/74/563144474.db2.gz ONLUPAGVWPDBBI-YMVVMYQSSA-N 0 3 436.640 6.228 1 0 IKAFHN Oc1ccc2c(c1)nc(-c1ccccc1)n2Cc1ccc(OCCN2CCCCC2)cc1 ZINC000064251813 563152514 /nfs/dbraw/zinc/15/25/14/563152514.db2.gz GBXULBDLBYZZIO-UHFFFAOYSA-N 0 3 427.548 5.322 1 0 IKAFHN O=C(Nc1ccccc1Cl)c1cc2c(cccc2OCCCNCc2cccnc2)[nH]1 ZINC000064516536 563154222 /nfs/dbraw/zinc/15/42/22/563154222.db2.gz RCSUBSVHQFPKEC-UHFFFAOYSA-N 0 3 434.927 5.027 1 0 IKAFHN Clc1ccc(CN[C@@H]2CCCC[C@H]2NCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000066065889 563156897 /nfs/dbraw/zinc/15/68/97/563156897.db2.gz AHUOBESNXKKXAS-WOJBJXKFSA-N 0 3 432.222 6.491 1 0 IKAFHN Fc1ccc(C(CCCN2CCN(c3ccc(Cl)cc3)CC2)c2ccc(F)cc2)cc1 ZINC000066251911 563160074 /nfs/dbraw/zinc/16/00/74/563160074.db2.gz XNHSSWJMCKYKBU-UHFFFAOYSA-N 0 3 440.965 6.353 1 0 IKAFHN COc1ccc(F)cc1CNCCCNc1ccnc2cc(-c3ccc(F)cc3)ccc21 ZINC000072123053 563164009 /nfs/dbraw/zinc/16/40/09/563164009.db2.gz MVOJNWQHXCNMBO-UHFFFAOYSA-N 0 3 433.502 5.780 1 0 IKAFHN Fc1ccccc1N1CCC(N[C@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072184713 563167852 /nfs/dbraw/zinc/16/78/52/563167852.db2.gz DRQPQGJCMCMGNE-HSZRJFAPSA-N 0 3 429.461 5.588 1 0 IKAFHN O=C(c1ccccc1)N1CCC(N[C@@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072186443 563168313 /nfs/dbraw/zinc/16/83/13/563168313.db2.gz ALAOOQMIFYSRCU-QHCPKHFHSA-N 0 3 439.481 5.084 1 0 IKAFHN Nc1nc(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cn1Cc1cc(F)cc(F)c1 ZINC000073224619 563171063 /nfs/dbraw/zinc/17/10/63/563171063.db2.gz PFPJTKZZKNKFFS-UHFFFAOYSA-N 0 3 443.419 6.068 1 0 IKAFHN O=C(CCCCN1CCCN(c2ccc(Cl)cc2)CC1)c1nc2ccccc2s1 ZINC000082151618 563173275 /nfs/dbraw/zinc/17/32/75/563173275.db2.gz QLTASWSCCMMISJ-UHFFFAOYSA-N 0 3 428.001 5.515 1 0 IKAFHN Clc1ccc(C[C@@H]2Cc3ccccc3[C@H]2N2CCN(c3ccccc3)CC2)c(Cl)c1 ZINC000082151875 563173394 /nfs/dbraw/zinc/17/33/94/563173394.db2.gz NUNCZTOTHHYKSZ-LVXARBLLSA-N 0 3 437.414 6.272 1 0 IKAFHN Clc1cnc2nc1Nc1cccc(c1)CCc1cc(ccc1OCCN1CCCC1)N2 ZINC000082155452 563173575 /nfs/dbraw/zinc/17/35/75/563173575.db2.gz SEYQSNUEPJIPOP-UHFFFAOYSA-N 0 3 435.959 5.190 1 0 IKAFHN Cc1cnc(Nc2ccc(N(C)C3CCN(C)CC3)cc2)nc1-c1ccc(F)c(Cl)c1 ZINC000084604871 563174221 /nfs/dbraw/zinc/17/42/21/563174221.db2.gz JWXGFEWBPUXKHX-UHFFFAOYSA-N 0 3 439.966 5.519 1 0 IKAFHN CO[C@@H]1Cc2cc(-c3ccc(C(C)=O)cc3)sc2C2(CCN(Cc3ccccc3)CC2)O1 ZINC000095554158 563181129 /nfs/dbraw/zinc/18/11/29/563181129.db2.gz SUUYLWKDFAAXFF-VWLOTQADSA-N 0 3 447.600 5.654 1 0 IKAFHN O=C(c1cc2c(cccc2OCCN2CCCCC2)[nH]1)c1ccc(Oc2ccccc2)cc1 ZINC000095558153 563181741 /nfs/dbraw/zinc/18/17/41/563181741.db2.gz KYXYHWNMHJAERZ-UHFFFAOYSA-N 0 3 440.543 6.056 1 0 IKAFHN OC(c1ccccc1)(c1ccccc1)C1CCN(CCCOc2ccccc2Cl)CC1 ZINC000095566147 563183410 /nfs/dbraw/zinc/18/34/10/563183410.db2.gz FENVJNBFQDMSJX-UHFFFAOYSA-N 0 3 435.995 5.757 3 0 IKAFHN Oc1ccc2sc(-c3ccccc3O)c(-c3ccc(OCCN4CCCCC4)cc3)c2c1 ZINC000095570782 563184347 /nfs/dbraw/zinc/18/43/47/563184347.db2.gz RZNIAKRFWKDGNV-UHFFFAOYSA-N 0 3 445.584 6.511 3 0 IKAFHN CN1CCC(COCc2cc(C(F)(F)F)cc(C3(F)CC3)n2)(c2ccc(F)cc2)CC1 ZINC000095590775 563190116 /nfs/dbraw/zinc/19/01/16/563190116.db2.gz UTEKOQDHDIGPGY-UHFFFAOYSA-N 0 3 440.456 5.378 1 0 IKAFHN O=Cc1ccc(/C(=C(\F)c2ccccc2)c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000095592204 563190456 /nfs/dbraw/zinc/19/04/56/563190456.db2.gz KPNDUWLDNMXGBM-BYYHNAKLSA-N 0 3 429.535 6.250 1 0 IKAFHN CC(C)CCN(CCC(C)C)CC(=O)Nc1nc2ccc(Br)cc2s1 ZINC000095593595 563190701 /nfs/dbraw/zinc/19/07/01/563190701.db2.gz MTHMREYNENAMOR-UHFFFAOYSA-N 0 3 426.424 5.392 1 0 IKAFHN Cc1cccc(C)c1NC(=O)[C@H](CCc1ccccc1)N1CCC(c2ccccc2)CC1 ZINC000095604287 563193726 /nfs/dbraw/zinc/19/37/26/563193726.db2.gz KZBZCHCQIRZEDO-MHZLTWQESA-N 0 3 426.604 6.123 3 0 IKAFHN CN(C)Cc1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)c(F)c1 ZINC000096269947 563196631 /nfs/dbraw/zinc/19/66/31/563196631.db2.gz ONQDESOFKJMXHM-UHFFFAOYSA-N 0 3 436.531 6.016 1 0 IKAFHN COc1cc(C)cc2c1c(OC)cc(C)c2-c1c(OC)cc(OC)c2c1C[C@H](C)N[C@@H]2C ZINC000095486162 560061589 /nfs/dbraw/zinc/06/15/89/560061589.db2.gz WIFADUSQCWLURQ-DLBZAZTESA-N 0 3 435.564 5.753 1 0 biogenic,in-vitro IKAFHN Nc1nc(-c2ccc(F)cc2)c([C@H]2CCN(CCCC(=O)c3ccc(F)cc3)C2)s1 ZINC000000838738 560178775 /nfs/dbraw/zinc/17/87/75/560178775.db2.gz PMIAIKWRXUGRQG-KRWDZBQOSA-N 0 3 427.520 5.123 1 0 in-vitro IKAFHN COc1cccc2c1CC[C@H](N1CCCC1)[C@H]2N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000000596793 562918516 /nfs/dbraw/zinc/91/85/16/562918516.db2.gz SYOPRZWROBOKGX-URXFXBBRSA-N 0 3 447.406 5.155 1 0 IKAFHN CN(C)CCOc1ccc([C@@H]2Oc3cc(O)ccc3-c3sc4cc(O)ccc4c32)cc1 ZINC000000841291 562919414 /nfs/dbraw/zinc/91/94/14/562919414.db2.gz BTOJISAUJPXHPN-DEOSSOPVSA-N 0 3 433.529 5.402 1 0 IKAFHN COc1ccc2c(c1)OC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1 ZINC000001719404 562924520 /nfs/dbraw/zinc/92/45/20/562924520.db2.gz SKXCQODDFFKXHF-IXCJQBJRSA-N 0 3 429.560 5.478 1 0 IKAFHN CN(C)CCOc1ccc(-c2c3ccccc3oc(=O)c2Oc2ccc(Cl)cc2)cc1 ZINC000001861383 562925089 /nfs/dbraw/zinc/92/50/89/562925089.db2.gz NFSBFQFDOKDHPK-UHFFFAOYSA-N 0 3 435.907 5.846 1 0 IKAFHN COc1ccc2c(c1)OC(C)(C)[C@@H](c1ccccc1)[C@@H]2c1ccc(OCCN(C)C)cc1 ZINC000002021431 562925594 /nfs/dbraw/zinc/92/55/94/562925594.db2.gz IORHSRGNDIZONT-SXOMAYOGSA-N 0 3 431.576 5.722 1 0 IKAFHN COc1ccc2c(c1)OC(C)(C)[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN(C)C)cc1 ZINC000002021433 562925627 /nfs/dbraw/zinc/92/56/27/562925627.db2.gz IORHSRGNDIZONT-KAYWLYCHSA-N 0 3 431.576 5.722 1 0 IKAFHN Cc1cc(C)cc(CO[C@@H]2C3CCN(CC3)[C@H]2[C@H](Cc2ccccc2)c2ccccc2)c1 ZINC000003786130 562937919 /nfs/dbraw/zinc/93/79/19/562937919.db2.gz IGJOBCGNZPJBJN-DYIKCSJPSA-N 0 3 425.616 6.309 1 0 IKAFHN COc1ccccc1[C@@H](O)/C=C1\C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 ZINC000003791022 562938027 /nfs/dbraw/zinc/93/80/27/562938027.db2.gz ACNNRRQKRUXREB-MMFSSXGCSA-N 0 3 425.572 5.581 1 0 IKAFHN Nc1nc(-c2ccc(F)cc2)c([C@@H]2CCN(CCCC(=O)c3ccc(F)cc3)C2)s1 ZINC000003826698 562938987 /nfs/dbraw/zinc/93/89/87/562938987.db2.gz PMIAIKWRXUGRQG-QGZVFWFLSA-N 0 3 427.520 5.123 1 0 in-vitro IKAFHN COc1ccc2c(c1)O[C@H](c1ccc(OCCN3CCCCC3)cc1)C(c1ccccc1)=C2 ZINC000003920378 562939301 /nfs/dbraw/zinc/93/93/01/562939301.db2.gz VMZKWNQITYDWEE-GDLZYMKVSA-N 0 3 441.571 6.234 1 0 IKAFHN COc1cccc(CN2CCC(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)c1 ZINC000012302820 562981078 /nfs/dbraw/zinc/98/10/78/562981078.db2.gz BKVBVLDNCGWYCI-UHFFFAOYSA-N 0 3 440.547 5.089 1 0 IKAFHN Oc1ccc2c(c1)OC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCCC2)cc1 ZINC000013436034 562985936 /nfs/dbraw/zinc/98/59/36/562985936.db2.gz LMHXWDHVXMWULI-IXCJQBJRSA-N 0 3 429.560 5.565 1 0 IKAFHN CCN(Cc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc2c3c(cccc31)C(=N)N2 ZINC000013450113 562987260 /nfs/dbraw/zinc/98/72/60/562987260.db2.gz OTZQVEXEVVSVQN-UHFFFAOYSA-N 0 3 441.556 5.050 1 0 IKAFHN CN(C)Cc1ccc(CSCc2cccc(CSCc3ccc(CN(C)C)o3)c2)o1 ZINC000013452606 562987528 /nfs/dbraw/zinc/98/75/28/562987528.db2.gz BTXJVBGYXBCASF-UHFFFAOYSA-N 0 3 444.666 5.863 1 0 IKAFHN CC(=O)C1(c2ccccc2)CCN(CCCC[C@@]23CCCc4cccc(c42)NC3=O)CC1 ZINC000013473709 562988438 /nfs/dbraw/zinc/98/84/38/562988438.db2.gz XHJNHSYVMPSXGH-MUUNZHRXSA-N 0 3 430.592 5.006 1 0 IKAFHN O=C(Nc1ccccc1)Nc1ccccc1[C@@H](O)CN1CCC(Cc2ccc(F)cc2)CC1 ZINC000013475800 562988950 /nfs/dbraw/zinc/98/89/50/562988950.db2.gz VXKVMPBIMSJSTA-SANMLTNESA-N 0 3 447.554 5.458 1 0 IKAFHN COc1ccc(NC(=O)Nc2ccccc2CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000013475746 562988958 /nfs/dbraw/zinc/98/89/58/562988958.db2.gz IWXGUKFSFRGFJT-UHFFFAOYSA-N 0 3 429.564 5.794 1 0 IKAFHN COc1cccc(NC(=O)Nc2ccccc2CN2CCC(Cc3ccccc3)CC2)c1 ZINC000013475744 562988960 /nfs/dbraw/zinc/98/89/60/562988960.db2.gz QTOZBBZMQKESRV-UHFFFAOYSA-N 0 3 429.564 5.794 1 0 IKAFHN COc1ccc(NC(=O)Nc2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000013475769 562988978 /nfs/dbraw/zinc/98/89/78/562988978.db2.gz HZOYCPMBDISVDI-UHFFFAOYSA-N 0 3 429.564 5.794 1 0 IKAFHN CCOc1c(C)cc(C(F)(F)F)cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487789 562989583 /nfs/dbraw/zinc/98/95/83/562989583.db2.gz DLALUXGXMNHNSW-UHFFFAOYSA-N 0 3 433.474 5.258 1 0 IKAFHN COc1ccc([C@@H](CN2CCCC2)n2cccc(-c3ccc(C(F)(F)F)cc3)c2=O)cc1 ZINC000013488445 562989670 /nfs/dbraw/zinc/98/96/70/562989670.db2.gz KKELZZUYLVXWKR-HSZRJFAPSA-N 0 3 442.481 5.228 1 0 IKAFHN O=C1NCCN1CCN1CCC(c2cn(C3CCCCC3)c3ccc(Cl)cc23)CC1 ZINC000013489957 562990058 /nfs/dbraw/zinc/99/00/58/562990058.db2.gz GSNUVPVGNUTESH-UHFFFAOYSA-N 0 3 429.008 5.005 1 0 IKAFHN Cc1cc2c(cccc2OC[C@@H](O)CN2CCC(c3cc4c(cccc4F)s3)CC2)[nH]1 ZINC000013490099 562990201 /nfs/dbraw/zinc/99/02/01/562990201.db2.gz BQKJZLWSHJKTJH-SFHVURJKSA-N 0 3 438.568 5.449 1 0 IKAFHN Cc1cc2c(cccc2OC[C@@H](O)CN2CCC(c3cc4c(cccc4C)s3)CC2)[nH]1 ZINC000013490096 562990223 /nfs/dbraw/zinc/99/02/23/562990223.db2.gz DLNKVXSFIONPEX-FQEVSTJZSA-N 0 3 434.605 5.619 1 0 IKAFHN Fc1ccc(C(OCCC2CCN(C/C=C/c3ccco3)CC2)c2ccc(F)cc2)cc1 ZINC000013491394 562990425 /nfs/dbraw/zinc/99/04/25/562990425.db2.gz LBRPERYKIZCGBR-HNQUOIGGSA-N 0 3 437.530 6.479 1 0 IKAFHN CCc1ccc2c(c1)[C@H](c1ccc(OCCN3CCCCC3)cc1)Cc1cc(O)cc(C)c1-2 ZINC000013494074 562990950 /nfs/dbraw/zinc/99/09/50/562990950.db2.gz AVXFTHNOWJYYDE-NDEPHWFRSA-N 0 3 441.615 6.483 1 0 IKAFHN Cc1ccc(C(=O)N[C@@H](CN2CCC(Cc3ccc(Cl)c(Cl)c3)CC2)C(C)C)cc1 ZINC000013553766 562992955 /nfs/dbraw/zinc/99/29/55/562992955.db2.gz GNVXCJBQOWUGAI-DEOSSOPVSA-N 0 3 447.450 6.011 1 0 IKAFHN Cc1ccc(C(=O)N[C@H](CN2CCC(Cc3ccc(Cl)c(Cl)c3)CC2)C(C)C)cc1 ZINC000013553765 562992993 /nfs/dbraw/zinc/99/29/93/562992993.db2.gz GNVXCJBQOWUGAI-XMMPIXPASA-N 0 3 447.450 6.011 1 0 IKAFHN Cc1cc2c(cccc2OC[C@@H](O)CN2CC[C@@H](c3cc4c(cccc4C)s3)C[C@@H]2C)[nH]1 ZINC000013587191 562995607 /nfs/dbraw/zinc/99/56/07/562995607.db2.gz ZRZHPXBPYCNVBE-HBMCJLEFSA-N 0 3 448.632 6.007 1 0 IKAFHN O=C1c2ccc(Oc3ccccc3)cc2CC[C@@H]1CCN1CCC(c2ccccc2)CC1 ZINC000013588380 562995963 /nfs/dbraw/zinc/99/59/63/562995963.db2.gz TZGYJUURLLBJGQ-XMMPIXPASA-N 0 3 425.572 6.494 1 0 IKAFHN O=C1c2ccc(OCc3ccncc3)cc2CC[C@H]1CCN1CCC(c2ccccc2)CC1 ZINC000013588389 562995987 /nfs/dbraw/zinc/99/59/87/562995987.db2.gz JCEOCMYRBQPMLY-VWLOTQADSA-N 0 3 440.587 5.675 1 0 IKAFHN O=C1c2ccc(OCc3ccncc3)cc2CC[C@@H]1CCN1CCC(c2ccccc2)CC1 ZINC000013588388 562995992 /nfs/dbraw/zinc/99/59/92/562995992.db2.gz JCEOCMYRBQPMLY-RUZDIDTESA-N 0 3 440.587 5.675 1 0 IKAFHN CCc1[nH]c2cc(=O)ccc-2c(Oc2ccc(OCCN(C)C)cc2)c1-c1ccccc1 ZINC000013641247 562998373 /nfs/dbraw/zinc/99/83/73/562998373.db2.gz BLSILHCLJLDFDG-UHFFFAOYSA-N 0 3 428.532 5.903 1 0 IKAFHN CC(C)C[C@@H](CSc1ccc(Br)cc1)N1CCN(CC(C)C)CCC1=O ZINC000013661676 562999810 /nfs/dbraw/zinc/99/98/10/562999810.db2.gz FKMYFACHUJITIR-IBGZPJMESA-N 0 3 441.479 5.146 3 0 IKAFHN CC(C)c1ccc2c(C3CCN(CCN4CCNC4=O)CC3)cn(-c3ccc(F)cc3)c2c1 ZINC000013731177 563001842 /nfs/dbraw/zinc/00/18/42/563001842.db2.gz ZQUAUCQTMBQTQA-UHFFFAOYSA-N 0 3 448.586 5.098 1 0 IKAFHN COc1ccc(CN[C@H](CNC(=O)Nc2c(C(C)C)cccc2C(C)C)C(C)C)cc1 ZINC000013737304 563002523 /nfs/dbraw/zinc/00/25/23/563002523.db2.gz XAYNMCWPDATELQ-XMMPIXPASA-N 0 3 425.617 5.878 1 0 IKAFHN CCCC[C@@H]1CCc2cccc3c(CCN4CCN(c5cc(C)ccn5)CC4)c(C)n1c32 ZINC000013740440 563003019 /nfs/dbraw/zinc/00/30/19/563003019.db2.gz FGEJWVXINYCXIR-XMMPIXPASA-N 0 3 430.640 5.695 1 0 IKAFHN COc1cccc2c1CCC[C@@H]2CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000013740697 563003132 /nfs/dbraw/zinc/00/31/32/563003132.db2.gz SGNFTTRKPWKHRW-LJQANCHMSA-N 0 3 432.530 5.736 1 0 IKAFHN Cc1ccccc1C(=O)N(C)c1ccc(C(=O)N2CCC[C@H](N(C)C)c3ccccc32)cc1 ZINC000013758030 563004653 /nfs/dbraw/zinc/00/46/53/563004653.db2.gz OOPNPCJITFJIQZ-VWLOTQADSA-N 0 3 441.575 5.315 1 0 IKAFHN Fc1ccc(CN2CCC(CCO[C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000013760755 563004925 /nfs/dbraw/zinc/00/49/25/563004925.db2.gz LDIQWODSVBHRII-HHHXNRCGSA-N 0 3 437.986 6.887 1 0 IKAFHN CCc1cccc(N(C)C(=N)N(C)c2cc(Br)ccc2Br)c1 ZINC000013776084 563005808 /nfs/dbraw/zinc/00/58/08/563005808.db2.gz GKDCPKFKQLHIAB-UHFFFAOYSA-N 0 3 425.168 5.281 1 0 IKAFHN Fc1ccc(/C=C/CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000013778620 563006055 /nfs/dbraw/zinc/00/60/55/563006055.db2.gz XAYIMTUFTYRXRB-BQYQJAHWSA-N 0 3 429.579 6.747 1 0 IKAFHN Fc1ccc(N2CCN(CCC[C@@H]3CN(Cc4ccccc4)c4ccccc4O3)CC2)cc1 ZINC000013780760 563006497 /nfs/dbraw/zinc/00/64/97/563006497.db2.gz UHIKBLAHVMJFRO-AREMUKBSSA-N 0 3 445.582 5.196 1 0 IKAFHN O=C(c1ccccc1)N(c1ccc(Cl)c(Cl)c1)C1CCN(Cc2ccccc2)CC1 ZINC000013817796 563009621 /nfs/dbraw/zinc/00/96/21/563009621.db2.gz PHXFLZQXEBYAEU-UHFFFAOYSA-N 0 3 439.386 6.305 1 0 IKAFHN O=S1(=O)c2cccc3cccc(c23)N1CCCN1CCC(c2c[nH]c3ccccc32)CC1 ZINC000013826835 563010597 /nfs/dbraw/zinc/01/05/97/563010597.db2.gz ZTDOROPEEBAJPY-UHFFFAOYSA-N 0 3 445.588 5.100 1 0 IKAFHN CCCN1C[C@H](CN2CC=C(c3c[nH]c4ccc(F)cc43)CC2)Oc2c(OC)cccc21 ZINC000013916885 563014038 /nfs/dbraw/zinc/01/40/38/563014038.db2.gz KBGIAHKLLKPEIS-FQEVSTJZSA-N 0 3 435.543 5.082 1 0 IKAFHN CC(C)Cn1c(N)nc2ccc(-c3nc(-c4c(F)cccc4F)[nH]c3-c3ccccc3)cc21 ZINC000013983392 563014264 /nfs/dbraw/zinc/01/42/64/563014264.db2.gz BRWPFEGMAWRISZ-UHFFFAOYSA-N 0 3 443.501 6.277 1 0 IKAFHN C[C@H](N)C(=O)Nc1nc(-c2cccc(Cc3ccccc3)c2)c(Cc2ccccc2)s1 ZINC000014951976 563015662 /nfs/dbraw/zinc/01/56/62/563015662.db2.gz KXYXQGCPKXXFTP-SFHVURJKSA-N 0 3 427.573 5.277 1 0 IKAFHN Fc1ccc([C@H](OCCN2CCN(CCCc3ccccc3)CC2)c2ccccc2)cc1 ZINC000019361015 563022614 /nfs/dbraw/zinc/02/26/14/563022614.db2.gz NRFRVJIPDSIXRE-MUUNZHRXSA-N 0 3 432.583 5.182 1 0 IKAFHN CN1CCN(CCCOc2ccc(-c3nc4cc(C(C)(C)C)ccc4[nH]3)c(Cl)c2)CC1 ZINC000023361011 563027092 /nfs/dbraw/zinc/02/70/92/563027092.db2.gz ZPKHJXYJHFUOGM-UHFFFAOYSA-N 0 3 441.019 5.197 1 0 IKAFHN CN1CCN(CCCOc2ccc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)c(Cl)c2)CC1 ZINC000023361011 563027094 /nfs/dbraw/zinc/02/70/94/563027094.db2.gz ZPKHJXYJHFUOGM-UHFFFAOYSA-N 0 3 441.019 5.197 1 0 IKAFHN CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](c2nc(-c3ccc(Br)cc3)no2)C1 ZINC000026187519 563029913 /nfs/dbraw/zinc/02/99/13/563029913.db2.gz VGTHXWPAVSKNJJ-MSOLQXFVSA-N 0 3 432.749 5.355 1 0 IKAFHN Fc1ccc(/C=C/CCN2CC[C@@H]3[C@@H](C2)c2cc(F)ccc2N3c2ccc(F)cc2)cc1 ZINC000026188790 563029977 /nfs/dbraw/zinc/02/99/77/563029977.db2.gz XHWVVKJJQIEKLC-ULBOXCRCSA-N 0 3 434.505 6.517 1 0 IKAFHN COc1ccc2c(c1)OC[C@H](c1ccccc1)[C@H]2c1ccc(OCCN2CCCCC2)cc1 ZINC000026255981 563030177 /nfs/dbraw/zinc/03/01/77/563030177.db2.gz GOCOLXIVFQWUBL-PXJZQJOASA-N 0 3 443.587 5.868 1 0 IKAFHN COc1ccc2c(c1)OC[C@@H](c1ccccc1)[C@H]2c1ccc(OCCN2CCCCC2)cc1 ZINC000026255991 563030185 /nfs/dbraw/zinc/03/01/85/563030185.db2.gz GOCOLXIVFQWUBL-YTMVLYRLSA-N 0 3 443.587 5.868 1 0 IKAFHN c1nc2c(cccc2N2CCNCC2)n1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000026399466 563031841 /nfs/dbraw/zinc/03/18/41/563031841.db2.gz IMRJYQQJJPTLSL-UHFFFAOYSA-N 0 3 444.582 5.286 1 0 IKAFHN CCC(=O)N(c1ccccc1)C1(c2nc(C)cs2)CCN(CCc2cccs2)CC1 ZINC000026568511 563033170 /nfs/dbraw/zinc/03/31/70/563033170.db2.gz NGWYIUXLERGTGP-UHFFFAOYSA-N 0 3 439.650 5.490 1 0 IKAFHN CCC(=O)N(c1ccccc1)C1(c2nc(C)cs2)CCN(CCc2ccsc2)CC1 ZINC000026568519 563033172 /nfs/dbraw/zinc/03/31/72/563033172.db2.gz HNMAVVYNZGWZAJ-UHFFFAOYSA-N 0 3 439.650 5.490 1 0 IKAFHN CCC(=O)N(c1ccccc1F)C1(c2nccs2)CCN(CCc2ccccc2)CC1 ZINC000026573384 563033449 /nfs/dbraw/zinc/03/34/49/563033449.db2.gz WLCRISJVGHWKET-UHFFFAOYSA-N 0 3 437.584 5.259 1 0 IKAFHN COC(=O)[C@H]1CCC[C@H](NCc2n[nH]c3cccc(OCc4ccc(C(C)(C)C)cc4)c23)C1 ZINC000026727635 563035851 /nfs/dbraw/zinc/03/58/51/563035851.db2.gz AGKXRBAYJBHVLK-FPOVZHCZSA-N 0 3 449.595 5.261 1 0 IKAFHN CSc1cccc2c1CCN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]2CN1CCCC1 ZINC000026749604 563036495 /nfs/dbraw/zinc/03/64/95/563036495.db2.gz ZVPRPDZTSIAALA-NRFANRHFSA-N 0 3 449.447 5.480 1 0 IKAFHN COc1cccc(CN(CCCN2C=CC=CC=CC2)c2cc(-c3ccccc3)no2)c1 ZINC000026978096 563038493 /nfs/dbraw/zinc/03/84/93/563038493.db2.gz COVGJOXMRYTEEO-UHFFFAOYSA-N 0 3 427.548 5.689 1 0 IKAFHN CN1CCCN(c2ccc([C@@H]3Oc4ccc(O)cc4S[C@@H]3c3ccc(O)cc3)cc2)CC1 ZINC000027203903 563040698 /nfs/dbraw/zinc/04/06/98/563040698.db2.gz PDIHJJKJNCYFNK-IZZNHLLZSA-N 0 3 448.588 5.207 1 0 IKAFHN CCCCN1C[C@H](C(=O)OC2CCCCC2)C[C@H]2c3cccc4c3c(cn4C(C)C)C[C@@H]21 ZINC000027518427 563042602 /nfs/dbraw/zinc/04/26/02/563042602.db2.gz ONLUPAGVWPDBBI-DSBYRVASSA-N 0 3 436.640 6.228 1 0 IKAFHN COc1cc2c(cc1OC)[C@H](CCN1CC=C(c3ccc(Cl)cc3)CC1)OCCC2 ZINC000027729107 563046070 /nfs/dbraw/zinc/04/60/70/563046070.db2.gz YTDIYABRBKRUNH-QHCPKHFHSA-N 0 3 427.972 5.541 1 0 IKAFHN COc1cc2c(cc1OC)[C@@H](CCN1CC=C(c3ccc(Cl)cc3)CC1)OCCC2 ZINC000027729114 563046093 /nfs/dbraw/zinc/04/60/93/563046093.db2.gz YTDIYABRBKRUNH-HSZRJFAPSA-N 0 3 427.972 5.541 1 0 IKAFHN O=C(c1ccco1)N(c1nc2ccccc2s1)C1CCN(CCc2ccccc2)CC1 ZINC000027735816 563046326 /nfs/dbraw/zinc/04/63/26/563046326.db2.gz PHXPAKBCXPKXEL-UHFFFAOYSA-N 0 3 431.561 5.243 1 0 IKAFHN O=C(CCCN1CCC(NC(=O)Nc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 ZINC000027986478 563048879 /nfs/dbraw/zinc/04/88/79/563048879.db2.gz ABFDJKKIJUTGPG-UHFFFAOYSA-N 0 3 434.367 5.242 1 0 IKAFHN CSc1sc(C(=N)N)cc1-c1csc(Nc2ccc(Nc3ccccc3)cc2)n1 ZINC000028012836 563049789 /nfs/dbraw/zinc/04/97/89/563049789.db2.gz LRFAHFBYANUWOO-UHFFFAOYSA-N 0 3 437.619 6.365 1 0 IKAFHN OC[C@H](N[C@]1(c2ccccc2)c2ccccc2C[C@@H]1Cc1ccccc1)[C@@H](O)c1ccccc1 ZINC000028124095 563051139 /nfs/dbraw/zinc/05/11/39/563051139.db2.gz YCEGDEQDUXNFIY-QBCKSJLUSA-N 0 3 449.594 5.029 1 0 IKAFHN O=S(=O)(c1ccccc1)n1cc(C2=CCN(Cc3ccccc3)CC2)c2ccccc21 ZINC000028134365 563051442 /nfs/dbraw/zinc/05/14/42/563051442.db2.gz SRWMFYMQNVTDDC-UHFFFAOYSA-N 0 3 428.557 5.168 1 0 IKAFHN COc1ccc2c(c1)CS[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1 ZINC000028338428 563052742 /nfs/dbraw/zinc/05/27/42/563052742.db2.gz DXQFKXOLUSNFPJ-VSGBNLITSA-N 0 3 445.628 6.290 1 0 IKAFHN CC(C)[C@H](CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)Oc1cc(F)ccc1Cl ZINC000028356126 563053383 /nfs/dbraw/zinc/05/33/83/563053383.db2.gz IBFJWHIXOKNTCN-QFIPXVFZSA-N 0 3 445.966 5.253 1 0 IKAFHN CCNC(=O)c1ccc(C(c2c(C)noc2C)=C2C[C@H]3CC[C@@H](C2)N3Cc2ccoc2)cc1 ZINC000028371767 563053867 /nfs/dbraw/zinc/05/38/67/563053867.db2.gz FLUSIOJERFHVHM-PSWAGMNNSA-N 0 3 445.563 5.263 1 0 IKAFHN CN1CCN(CCCOc2ccc(-c3cc(-c4cccc(C(F)(F)F)c4)no3)cc2)CC1 ZINC000028375365 563053970 /nfs/dbraw/zinc/05/39/70/563053970.db2.gz JAYXOYIRNYUIMZ-UHFFFAOYSA-N 0 3 445.485 5.044 1 0 IKAFHN Clc1ccc(C2=C[C@H]3CC[C@@H](C2)N3CCCOc2cccc3[nH]ccc32)cc1Cl ZINC000028384293 563054163 /nfs/dbraw/zinc/05/41/63/563054163.db2.gz WCYNKWZHPZSXCS-MOPGFXCFSA-N 0 3 427.375 6.564 1 0 IKAFHN CCCCN1Cc2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)S1(=O)=O ZINC000028390661 563054375 /nfs/dbraw/zinc/05/43/75/563054375.db2.gz VSDXQLNICFHYQZ-UHFFFAOYSA-N 0 3 447.689 5.033 1 0 IKAFHN CCNC(=O)c1ccc(C(c2cccnc2)=C2C[C@H]3CC[C@@H](C2)N3Cc2ccoc2)cc1 ZINC000028394913 563054613 /nfs/dbraw/zinc/05/46/13/563054613.db2.gz IYJWIHQKUAXSKS-PLQXJYEYSA-N 0 3 427.548 5.053 1 0 IKAFHN CN(C)Cc1ccc2n1Cc1ccccc1N(C(=O)c1ccc(-c3cccs3)cc1)C2 ZINC000028528278 563057178 /nfs/dbraw/zinc/05/71/78/563057178.db2.gz SPXPNUZPKUVJLB-UHFFFAOYSA-N 0 3 427.573 5.487 1 0 IKAFHN CC(C)(C)[C@H](NC[C@H](O)COc1ccccc1C(=O)CCc1ccccc1)c1ccccc1 ZINC000028637027 563059841 /nfs/dbraw/zinc/05/98/41/563059841.db2.gz NXLSPYIPMYWKMG-RBJSKKJNSA-N 0 3 445.603 5.619 1 0 IKAFHN CC(C)[C@@H](NC[C@H](O)COc1ccccc1C(=O)CCc1ccccc1)c1ccccc1 ZINC000028636823 563059868 /nfs/dbraw/zinc/05/98/68/563059868.db2.gz IMSAUJVBNBXQTC-RBJSKKJNSA-N 0 3 431.576 5.229 1 0 IKAFHN Cc1cccc(C)c1Nc1ncc(-c2ccc(OC[C@@H]3CCCN(C)C3)cc2)n2cncc12 ZINC000028639995 563060047 /nfs/dbraw/zinc/06/00/47/563060047.db2.gz ZMNIUTKMAXSZLK-OAQYLSRUSA-N 0 3 441.579 5.477 1 0 IKAFHN O=C(Nc1ccc(F)c(Cl)c1)N(CCN1CCCC1)[C@@H]1CC=C(c2cccnc2)CC1 ZINC000028650210 563061089 /nfs/dbraw/zinc/06/10/89/563061089.db2.gz XRKKPQCDVNMDGA-OAQYLSRUSA-N 0 3 442.966 5.440 1 0 IKAFHN O=C(Nc1ccc(F)c(Cl)c1)N(CCN1CCCC1)[C@H]1CC=C(c2ccco2)CC1 ZINC000028650223 563061105 /nfs/dbraw/zinc/06/11/05/563061105.db2.gz UAUSDCVOZKQEPQ-IBGZPJMESA-N 0 3 431.939 5.638 1 0 IKAFHN Cc1ccc(NC(=O)C(C)C)cc1C1CCN(CCCNC(=O)[C@@H](C)c2ccccc2)CC1 ZINC000028710184 563062440 /nfs/dbraw/zinc/06/24/40/563062440.db2.gz NJJVZQKTUZLDJG-QFIPXVFZSA-N 0 3 449.639 5.079 1 0 IKAFHN CCCN[C@H](c1ccc(Cl)cc1Cl)[C@@H](NCCC)c1ccc(Cl)cc1Cl ZINC000028764625 563064021 /nfs/dbraw/zinc/06/40/21/563064021.db2.gz FASYCQWBVNXZFV-BGYRXZFFSA-N 0 3 434.238 7.082 1 0 IKAFHN CC(C)N(C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(NC(C)(C)C)n1 ZINC000028822173 563065654 /nfs/dbraw/zinc/06/56/54/563065654.db2.gz ZMYWIOYRNMDHLI-UHFFFAOYSA-N 0 3 446.574 5.648 1 0 IKAFHN CN(C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(Nc2ccccc2)n1 ZINC000028822164 563065661 /nfs/dbraw/zinc/06/56/61/563065661.db2.gz NBZFVVOLZDEOTA-UHFFFAOYSA-N 0 3 438.510 5.403 1 0 IKAFHN Fc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000028827094 563066597 /nfs/dbraw/zinc/06/65/97/563066597.db2.gz BDHINVDMKKOVJL-UHFFFAOYSA-N 0 3 446.545 5.482 1 0 IKAFHN Cc1ccc(CN2CCC(NC(=O)NCc3ccc(-c4ccc(F)cc4)cc3)CC2)cc1 ZINC000028874075 563067571 /nfs/dbraw/zinc/06/75/71/563067571.db2.gz RXSPFWYZXYRTRF-UHFFFAOYSA-N 0 3 431.555 5.265 1 0 IKAFHN CC(=O)Nc1ccc(SCCCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000028886710 563068164 /nfs/dbraw/zinc/06/81/64/563068164.db2.gz RUINEBRTZHOOIJ-UHFFFAOYSA-N 0 3 438.424 5.256 1 0 IKAFHN CC(C)C[C@]1(CCCCN2CCN(c3cccc(Cl)c3)CC2)c2ccccc2NC1=O ZINC000029052535 563073094 /nfs/dbraw/zinc/07/30/94/563073094.db2.gz WCILESILEVDHCT-AREMUKBSSA-N 0 3 440.031 5.569 1 0 IKAFHN CC[C@]1(CCCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2ccc(F)cc21 ZINC000029052770 563073175 /nfs/dbraw/zinc/07/31/75/563073175.db2.gz OGUHCHBFMUYJMX-XMMPIXPASA-N 0 3 429.967 5.072 1 0 IKAFHN CC[C@@]1(CCCCN2CCN(c3cccc(Cl)c3)CC2)c2cc(Cl)ccc2NC1=O ZINC000029052751 563073208 /nfs/dbraw/zinc/07/32/08/563073208.db2.gz YFDRVPRNWMMHLM-XMMPIXPASA-N 0 3 446.422 5.586 1 0 IKAFHN O=C(CCCN1CC[C@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)Nc1ccccc1 ZINC000029558880 563082230 /nfs/dbraw/zinc/08/22/30/563082230.db2.gz GPXCZZUKSBSNHY-RSXGOPAZSA-N 0 3 447.529 5.693 1 0 IKAFHN O=c1[nH]c2cccc3cccc(c32)n1CCN1CCC(Cc2c[nH]c3ccc(F)cc23)CC1 ZINC000029562138 563082384 /nfs/dbraw/zinc/08/23/84/563082384.db2.gz QHPHOWVDZTXSOR-UHFFFAOYSA-N 0 3 442.538 5.470 1 0 IKAFHN Clc1ccc(Cn2c3ccccc3nc2NC2CCN(CCc3ccccc3)CC2)cc1 ZINC000029568547 563082811 /nfs/dbraw/zinc/08/28/11/563082811.db2.gz CBVWQFMRHSDHIL-UHFFFAOYSA-N 0 3 445.010 5.857 1 0 IKAFHN CN1CCN(CCC/N=c2\cc(-c3ccc(Cl)cc3)sc3ccc(Cl)cc32)CC1 ZINC000032155975 563084165 /nfs/dbraw/zinc/08/41/65/563084165.db2.gz YHLOIHBIALNBLS-YYADALCUSA-N 0 3 446.447 5.413 1 0 IKAFHN CC(C)(C)C1(O)CCN(C[C@H]2c3ccccc3CCc3ccc(Br)cc32)CC1 ZINC000033875353 563084950 /nfs/dbraw/zinc/08/49/50/563084950.db2.gz TZXGMZSFQAFIAT-QHCPKHFHSA-N 0 3 442.441 5.553 1 0 IKAFHN CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3ccc(C(C)(C)C)c4[nH]cc(c43)C[C@H]21 ZINC000034800963 563087362 /nfs/dbraw/zinc/08/73/62/563087362.db2.gz DENVMYPRJDLGGR-BPUDTRNYSA-N 0 3 445.607 5.352 1 0 IKAFHN C[C@H]1CN2C[C@H](c3ccccc3)N(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 ZINC000035075235 563089180 /nfs/dbraw/zinc/08/91/80/563089180.db2.gz YREAXUCMJLVXEL-DNLODUJGSA-N 0 3 426.604 5.617 1 0 IKAFHN CN1CC[C@H](c2ccc(Cl)cc2)[C@H](C(=O)OCCC(c2ccccc2)c2ccccc2)C1 ZINC000036270774 563092468 /nfs/dbraw/zinc/09/24/68/563092468.db2.gz QZJCKWFHBYEESM-KAYWLYCHSA-N 0 3 448.006 6.141 1 0 IKAFHN CCc1ccc(-c2ccc3c(c2)occ(-c2ccc(N4CC[C@H](N(C)C)C4)nc2)c3=O)cc1 ZINC000036351620 563093348 /nfs/dbraw/zinc/09/33/48/563093348.db2.gz KHZXHCLAAWWJGQ-QHCPKHFHSA-N 0 3 439.559 5.225 1 0 IKAFHN CCCc1cc(NCC)c2cc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)ccc2n1 ZINC000036351895 563093449 /nfs/dbraw/zinc/09/34/49/563093449.db2.gz JXYWPRQUTYZSHK-MDWZMJQESA-N 0 3 427.470 6.290 1 0 IKAFHN CCCc1cc(N(C)C)c2cc(NC(=O)CCc3ccc(C(F)(F)F)cc3)ccc2n1 ZINC000036351891 563093514 /nfs/dbraw/zinc/09/35/14/563093514.db2.gz BWPRHHQVXCBTKQ-UHFFFAOYSA-N 0 3 429.486 5.843 1 0 IKAFHN CCCN(CCCCNc1ccnc2cc(Cl)ccc21)Cc1cc(F)ccc1OC ZINC000036474061 563095376 /nfs/dbraw/zinc/09/53/76/563095376.db2.gz ZZIZUCRRSLRFCS-UHFFFAOYSA-N 0 3 429.967 6.140 1 0 IKAFHN C[C@H](N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(Cl)c1)c1cccc2ccccc21 ZINC000036476088 563095572 /nfs/dbraw/zinc/09/55/72/563095572.db2.gz ZHUPEKHGIMUOGO-PKKBDPGCSA-N 0 3 443.012 5.434 1 0 IKAFHN NC[C@@H](NC(=O)c1cc(-c2ccccc2)c(-c2ccnc3[nH]ccc32)s1)c1ccccc1 ZINC000040408984 563101566 /nfs/dbraw/zinc/10/15/66/563101566.db2.gz NOROMZLDWXCWKI-JOCHJYFZSA-N 0 3 438.556 5.388 1 0 IKAFHN CC(C)CCN[C@@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000040566182 563104895 /nfs/dbraw/zinc/10/48/95/563104895.db2.gz RDTVWHAKESBWNU-LJQANCHMSA-N 0 3 446.435 5.717 1 0 IKAFHN Cc1ccc(N2CC[C@@H](c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 ZINC000040762449 563106342 /nfs/dbraw/zinc/10/63/42/563106342.db2.gz WAISWJFIOBYKSS-FQEVSTJZSA-N 0 3 447.406 5.687 1 0 IKAFHN Oc1ccc(CCCN2CCN(CCCCn3c4ccccc4c4ccccc43)CC2)cc1 ZINC000040867149 563108968 /nfs/dbraw/zinc/10/89/68/563108968.db2.gz UBOAAZLIZFWMOD-UHFFFAOYSA-N 0 3 441.619 5.531 1 0 IKAFHN Cc1ccc(NC(=O)c2ccc3ncccc3c2)cc1O[C@H]1CCN(Cc2ccsc2)C1 ZINC000045190035 563123369 /nfs/dbraw/zinc/12/33/69/563123369.db2.gz QECZAEZKWFZJRH-QHCPKHFHSA-N 0 3 443.572 5.510 1 0 IKAFHN CC(C)COc1ccc(Cl)cc1Cc1nc(-c2nc3cc(CN(C)C)ccc3[nH]2)co1 ZINC000045190811 563123658 /nfs/dbraw/zinc/12/36/58/563123658.db2.gz XBFPVGAOQWSKQC-UHFFFAOYSA-N 0 3 438.959 5.559 1 0 IKAFHN COc1cc(NC(=O)c2ccc3oc4ccccc4c3c2)ccc1OCCN1CCCCC1 ZINC000045193158 563123913 /nfs/dbraw/zinc/12/39/13/563123913.db2.gz LOOPWRYIWZNCEV-UHFFFAOYSA-N 0 3 444.531 5.712 1 0 IKAFHN COc1ccc(CNCc2ccc(-c3ccc(-c4nc5c(cccc5C)[nH]4)s3)cc2)cc1 ZINC000045192982 563124000 /nfs/dbraw/zinc/12/40/00/563124000.db2.gz KZJDHMKSXZZQFH-UHFFFAOYSA-N 0 3 439.584 6.565 1 0 IKAFHN COc1ccc(CNCc2ccc(-c3ccc(-c4nc5cccc(C)c5[nH]4)s3)cc2)cc1 ZINC000045192982 563124001 /nfs/dbraw/zinc/12/40/01/563124001.db2.gz KZJDHMKSXZZQFH-UHFFFAOYSA-N 0 3 439.584 6.565 1 0 IKAFHN Cc1cc2nc(-c3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)cc3)[nH]c2cc1C ZINC000045194122 563124164 /nfs/dbraw/zinc/12/41/64/563124164.db2.gz XFZZRXIRCQMWRJ-UHFFFAOYSA-N 0 3 438.575 5.241 1 0 IKAFHN Cc1cccc2[nH]c(-c3ccc(-c4cccc(C(=O)NCCN5CCCC5)c4)s3)nc21 ZINC000045202782 563125007 /nfs/dbraw/zinc/12/50/07/563125007.db2.gz VEZYZCURZOQWOQ-UHFFFAOYSA-N 0 3 430.577 5.092 1 0 IKAFHN Cc1cccc2nc(-c3ccc(-c4cccc(C(=O)NCCN5CCCC5)c4)s3)[nH]c21 ZINC000045202782 563125009 /nfs/dbraw/zinc/12/50/09/563125009.db2.gz VEZYZCURZOQWOQ-UHFFFAOYSA-N 0 3 430.577 5.092 1 0 IKAFHN O=C(Nc1ccc(Cl)cc1)c1ccc(CN2CCCN(Cc3ccccc3)CC2)cc1 ZINC000045202904 563125188 /nfs/dbraw/zinc/12/51/88/563125188.db2.gz ASSPHNQULKOSIF-UHFFFAOYSA-N 0 3 433.983 5.300 1 0 IKAFHN COc1cc(-c2[nH]c(-c3ccc(OCCN(C)C)cc3)cc2-c2ccncc2)ccc1Cl ZINC000045302704 563129542 /nfs/dbraw/zinc/12/95/42/563129542.db2.gz IUFZLFSGTTVICA-UHFFFAOYSA-N 0 3 447.966 6.013 1 0 IKAFHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(-c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000045302858 563129615 /nfs/dbraw/zinc/12/96/15/563129615.db2.gz VQJMTESEZFGSOB-UHFFFAOYSA-N 0 3 444.966 5.278 1 0 IKAFHN COc1ccc(CNCc2ccc(-c3ccc(-c4nc5c(cccc5C)[nH]4)cc3)cc2)cc1 ZINC000045316841 563129945 /nfs/dbraw/zinc/12/99/45/563129945.db2.gz OMCHWOSXPPVORE-UHFFFAOYSA-N 0 3 433.555 6.504 1 0 IKAFHN COc1ccc(CNCc2ccc(-c3ccc(-c4nc5cccc(C)c5[nH]4)cc3)cc2)cc1 ZINC000045316841 563129946 /nfs/dbraw/zinc/12/99/46/563129946.db2.gz OMCHWOSXPPVORE-UHFFFAOYSA-N 0 3 433.555 6.504 1 0 IKAFHN Fc1cc(Cl)ccc1Nc1ccnc2cc(-c3ccc(CN4CCCCC4)o3)ccc21 ZINC000045322625 563130552 /nfs/dbraw/zinc/13/05/52/563130552.db2.gz OJZUXUKGQZQECF-UHFFFAOYSA-N 0 3 435.930 7.017 1 0 IKAFHN COc1ccc(CNCc2cccc(-c3cccc(-c4nc5cc(F)ccc5[nH]4)c3)c2)cc1 ZINC000045323353 563130697 /nfs/dbraw/zinc/13/06/97/563130697.db2.gz LJJRWQDEWFMPJX-UHFFFAOYSA-N 0 3 437.518 6.334 1 0 IKAFHN COc1ccc(-c2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cc1CNC(C)C ZINC000045335895 563131383 /nfs/dbraw/zinc/13/13/83/563131383.db2.gz GQRHRCDZCHQALQ-UHFFFAOYSA-N 0 3 426.919 5.905 1 0 IKAFHN CCCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC[N@H+](C2CCCC2)CC3)cc1 ZINC000049013715 563135289 /nfs/dbraw/zinc/13/52/89/563135289.db2.gz XKLUUIKSEPOBCP-UHFFFAOYSA-N 0 3 426.626 5.173 1 0 IKAFHN CCCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC[N@@H+](C2CCCC2)CC3)cc1 ZINC000049013715 563135290 /nfs/dbraw/zinc/13/52/90/563135290.db2.gz XKLUUIKSEPOBCP-UHFFFAOYSA-N 0 3 426.626 5.173 1 0 IKAFHN CCCN1C[C@@H](CN2CC=C(c3c[nH]c4ccc(F)cc43)CC2)Oc2c(OC)cccc21 ZINC000053173484 563141138 /nfs/dbraw/zinc/14/11/38/563141138.db2.gz KBGIAHKLLKPEIS-HXUWFJFHSA-N 0 3 435.543 5.082 1 0 IKAFHN O=c1c(CN[C@@H](CO)CC2CCCCC2)coc2cccc(OCC3CCCCC3)c12 ZINC000053298309 563141982 /nfs/dbraw/zinc/14/19/82/563141982.db2.gz ZHMNEHUEHZCUSB-JOCHJYFZSA-N 0 3 427.585 5.173 1 0 IKAFHN CN1CCN(c2ccc(Nc3ccnc4ccc(-c5ccc(Cl)cc5)cc43)cc2)CC1 ZINC000058520190 563143927 /nfs/dbraw/zinc/14/39/27/563143927.db2.gz CQERPSZQVAXWHF-UHFFFAOYSA-N 0 3 428.967 6.051 1 0 IKAFHN c1ccc([C@@H]2[C@H]3CN(Cc4cccnc4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cc1 ZINC000059830573 563146713 /nfs/dbraw/zinc/14/67/13/563146713.db2.gz NUJHFKHMMFVVEU-KOBWGQNTSA-N 0 3 443.594 6.165 3 0 IKAFHN Cc1ccc([C@H]2C[C@@H](O)[C@H](n3cc(-c4ccc(F)cc4)nn3)CN2Cc2cccs2)cc1 ZINC000061923799 563149676 /nfs/dbraw/zinc/14/96/76/563149676.db2.gz MOOQRFHZJWKCHK-UBFVSLLYSA-N 0 3 448.567 5.003 3 0 IKAFHN Clc1cccc(Cl)c1OCCNCCOc1ccccc1OCc1ccccc1 ZINC000064448958 563153488 /nfs/dbraw/zinc/15/34/88/563153488.db2.gz PANUNJICXXHAIL-UHFFFAOYSA-N 0 3 432.347 5.620 1 0 IKAFHN O=C(Nc1ccc(Cl)cc1)c1cc2c(cccc2OCCCNCc2cccnc2)[nH]1 ZINC000064503769 563153808 /nfs/dbraw/zinc/15/38/08/563153808.db2.gz NBOWZNNWSZQKHN-UHFFFAOYSA-N 0 3 434.927 5.027 1 0 IKAFHN Clc1ccc(CN[C@H]2CCCC[C@@H]2NCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000066065888 563156872 /nfs/dbraw/zinc/15/68/72/563156872.db2.gz AHUOBESNXKKXAS-PMACEKPBSA-N 0 3 432.222 6.491 1 0 IKAFHN Clc1ccc(CN[C@@H]2CCCC[C@@H]2NCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000066065887 563156892 /nfs/dbraw/zinc/15/68/92/563156892.db2.gz AHUOBESNXKKXAS-BGYRXZFFSA-N 0 3 432.222 6.491 1 0 IKAFHN Cc1cnc(N2CCC(N[C@H](c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)s1 ZINC000072101482 563162772 /nfs/dbraw/zinc/16/27/72/563162772.db2.gz OJTBCUWMSPJWOV-HXUWFJFHSA-N 0 3 432.515 5.213 1 0 IKAFHN CC(C)Oc1ccc([C@H](NC2CCN(C(=O)Nc3ccccc3)CC2)c2cccnc2)cc1 ZINC000072102359 563162803 /nfs/dbraw/zinc/16/28/03/563162803.db2.gz DBDXGSSJPKYVCO-SANMLTNESA-N 0 3 444.579 5.244 1 0 IKAFHN CC(C)CN[C@H](CCc1ccccc1)c1nc(Cc2ccccc2)c(N2CCCCC2)o1 ZINC000072102456 563162830 /nfs/dbraw/zinc/16/28/30/563162830.db2.gz CJJCPPODYVROJQ-RUZDIDTESA-N 0 3 431.624 6.175 1 0 IKAFHN CCN(Cc1coc(-c2ccc(C(F)(F)F)cc2)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000072182101 563167323 /nfs/dbraw/zinc/16/73/23/563167323.db2.gz AGRBAIWRSFYYIK-QFIPXVFZSA-N 0 3 429.486 5.457 1 0 IKAFHN CCN(Cc1coc(-c2ccc(Br)cc2)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000072184143 563167772 /nfs/dbraw/zinc/16/77/72/563167772.db2.gz VASKGEOBOYXLJS-QFIPXVFZSA-N 0 3 440.385 5.201 1 0 IKAFHN Fc1cccc(F)c1N1CCC(N[C@@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072185774 563168102 /nfs/dbraw/zinc/16/81/02/563168102.db2.gz FQXVWMOFTODYHH-QFIPXVFZSA-N 0 3 447.451 5.727 1 0 IKAFHN C[C@@H](c1ccc(-c2ccccc2)cc1)[C@H](N)C(=O)N[C@H](c1ccc(Cl)cc1)C(F)F ZINC000073223140 563170874 /nfs/dbraw/zinc/17/08/74/563170874.db2.gz DOKSCYFGEKEGCR-UZQPLGKSSA-N 0 3 428.910 5.560 1 0 IKAFHN C[C@@H](c1ccc(-c2ccccc2)cc1)[C@H](N)C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000073223580 563170878 /nfs/dbraw/zinc/17/08/78/563170878.db2.gz SYJKZXQWLHDTBT-UZQPLGKSSA-N 0 3 446.900 5.858 1 0 IKAFHN CC(C)(C)CN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1 ZINC000082155533 563173676 /nfs/dbraw/zinc/17/36/76/563173676.db2.gz MQTLYTFYVXHFAN-SNAWJCMRSA-N 0 3 428.580 6.074 1 0 IKAFHN O=C(Nc1ccc2c(c1)OCC(CN1CCCC1)=C2)c1ccc(-c2ccc(F)cc2)cc1 ZINC000084669967 563175118 /nfs/dbraw/zinc/17/51/18/563175118.db2.gz YIKZESIGFJDKFD-UHFFFAOYSA-N 0 3 428.507 5.617 1 0 IKAFHN COc1ccc(-c2ccc(C(=O)Nc3ccc4cc(CN5CCCC5)cnc4c3)cc2)cc1 ZINC000084670702 563175242 /nfs/dbraw/zinc/17/52/42/563175242.db2.gz SYWDDLDAYVZIIC-UHFFFAOYSA-N 0 3 437.543 5.759 1 0 IKAFHN CCCCC(=O)Nc1ccc(C(=O)Nc2ccc3cc(CN4CCCC4)cnc3c2C)cc1 ZINC000084687806 563175856 /nfs/dbraw/zinc/17/58/56/563175856.db2.gz FFGSJFHRDGBOBX-UHFFFAOYSA-N 0 3 444.579 5.520 1 0 IKAFHN Cc1c(NC(=O)CCCC(=O)c2ccc(F)cc2)ccc2cc(CN3CCCC3)cnc21 ZINC000084687807 563175864 /nfs/dbraw/zinc/17/58/64/563175864.db2.gz BVCRMRCQDWCOLS-UHFFFAOYSA-N 0 3 433.527 5.270 1 0 IKAFHN CCCCCC(=O)c1ccc(C(=O)Nc2ccc3cc(CN4CCCC4)cnc3c2C)cc1 ZINC000084687805 563175908 /nfs/dbraw/zinc/17/59/08/563175908.db2.gz NAJDZXWMBQOVKT-UHFFFAOYSA-N 0 3 443.591 6.154 1 0 IKAFHN Cc1ccccc1SC[C@H](O)CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000084690816 563176520 /nfs/dbraw/zinc/17/65/20/563176520.db2.gz KVJLRXYMXBYASK-AREMUKBSSA-N 0 3 447.644 5.096 1 0 IKAFHN C[C@@H](c1ccccn1)N1CCC2(CC1)c1ccccc1N(c1cnc3ccccc3c1)C2=O ZINC000084706005 563176828 /nfs/dbraw/zinc/17/68/28/563176828.db2.gz OAICMHUBSGRQPL-FQEVSTJZSA-N 0 3 434.543 5.403 1 0 IKAFHN CC(C)(C)OC(=O)n1cc(CN2CCC3(CC2)OCCc2sccc23)c2ccccc21 ZINC000084741756 563179184 /nfs/dbraw/zinc/17/91/84/563179184.db2.gz ZZQOOARDLCVJFB-UHFFFAOYSA-N 0 3 438.593 5.550 1 0 IKAFHN O=C(Nc1ccc2cc(CN3CCCC3)cnc2c1)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000084758909 563179781 /nfs/dbraw/zinc/17/97/81/563179781.db2.gz WLBXFMNETGMZFI-UHFFFAOYSA-N 0 3 448.998 5.896 1 0 IKAFHN COc1ccc(-c2cc3c(s2)C2(CCN(Cc4ccccc4)CC2)O[C@@H](OC)C3)cc1 ZINC000095556677 563181503 /nfs/dbraw/zinc/18/15/03/563181503.db2.gz GMHWPQAZYKINBV-XMMPIXPASA-N 0 3 435.589 5.460 1 0 IKAFHN COc1ccc(-c2cc3c(s2)C2(CCN(Cc4ccccc4)CC2)O[C@H](OC)C3)cc1 ZINC000095556676 563181506 /nfs/dbraw/zinc/18/15/06/563181506.db2.gz GMHWPQAZYKINBV-DEOSSOPVSA-N 0 3 435.589 5.460 1 0 IKAFHN CCN1CCN(CCc2ccc([C@H](c3ccccc3)C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000095558170 563181756 /nfs/dbraw/zinc/18/17/56/563181756.db2.gz ULRNPMQYZHBUNR-ONWBCECJSA-N 0 3 442.691 6.215 1 0 IKAFHN CN1CCN(CCc2ccc([C@H](c3ccccc3)C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000095557798 563181761 /nfs/dbraw/zinc/18/17/61/563181761.db2.gz LYYKTBPUPZEIDM-CTSDKZEDSA-N 0 3 428.664 5.825 1 0 IKAFHN Clc1ccc2c(c1)nccc2NCc1nc(-c2ccccc2)c(CN2CCCC2)s1 ZINC000095562054 563182583 /nfs/dbraw/zinc/18/25/83/563182583.db2.gz VEGMUPYOVNFZCP-UHFFFAOYSA-N 0 3 434.996 6.220 1 0 IKAFHN OCc1ccc(/C(=C(\F)c2ccccc2)c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000095590235 563190003 /nfs/dbraw/zinc/19/00/03/563190003.db2.gz CVFYCQPDBSLRLR-BYYHNAKLSA-N 0 3 431.551 5.930 1 0 IKAFHN C[C@@H]1C[C@H]1c1cc(C(F)(F)F)cc(COCC2(c3ccc(F)cc3)CCN(C)CC2)n1 ZINC000095591625 563190373 /nfs/dbraw/zinc/19/03/73/563190373.db2.gz XYODCNMGJSSDON-IIBYNOLFSA-N 0 3 436.493 5.543 1 0 IKAFHN C[C@@H]1C[C@@H]1c1cc(C(F)(F)F)cc(COCC2(c3ccc(F)cc3)CCN(C)CC2)n1 ZINC000095591623 563190391 /nfs/dbraw/zinc/19/03/91/563190391.db2.gz XYODCNMGJSSDON-IERDGZPVSA-N 0 3 436.493 5.543 1 0 IKAFHN CC(C)c1ccc(OCCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000095598634 563192238 /nfs/dbraw/zinc/19/22/38/563192238.db2.gz WHFHXMVSGNBDNY-UHFFFAOYSA-N 0 3 443.631 6.227 3 0 IKAFHN Cc1cccc(C)c1NC(=O)[C@@H](CCc1ccccc1)N1CCC(c2ccccc2)CC1 ZINC000095604286 563193707 /nfs/dbraw/zinc/19/37/07/563193707.db2.gz KZBZCHCQIRZEDO-HHHXNRCGSA-N 0 3 426.604 6.123 3 0 IKAFHN CN(C)Cc1ccc([C@H]2C[C@@H]2C(=O)Nc2nc3ccc(-c4cccnc4)cc3s2)cc1 ZINC000095921411 563195042 /nfs/dbraw/zinc/19/50/42/563195042.db2.gz PGABPPHMLFSKKA-RTWAWAEBSA-N 0 3 428.561 5.162 1 0 in-vitro IKAFHN Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccc(CN2CCN(C)CC2)cc1 ZINC000096940129 563200222 /nfs/dbraw/zinc/20/02/22/563200222.db2.gz KUXWORKQNWWGEM-UHFFFAOYSA-N 0 3 438.571 5.491 1 0 IKAFHN C1CCC[C@H]2CCCN3CC[C@H](CCCCC[C@@H]4CCCN5CC[C@H](CC1)O[C@H]45)O[C@@H]23 ZINC000095486223 291394163 /nfs/dbraw/zinc/39/41/63/291394163.db2.gz XXBKNTKBCHTGIR-HBEKHWMPSA-N 0 3 432.693 5.945 1 0 biogenic,in-vitro IKAFHN c1ccc2c(c1)sc1c2[C@H](c2ccc(OCCN3CCCCC3)cc2)Oc2ccccc2-1 ZINC000001545278 562922744 /nfs/dbraw/zinc/92/27/44/562922744.db2.gz LJHYLRJDWMLYMC-MHZLTWQESA-N 0 3 441.596 6.915 1 0 IKAFHN Clc1ccc(Cc2nc3cc(CCN4CCN(c5ccccc5)CC4)ccc3[nH]2)cc1 ZINC000001658044 562924145 /nfs/dbraw/zinc/92/41/45/562924145.db2.gz VPUAQCQMOIAGBY-UHFFFAOYSA-N 0 3 430.983 5.172 1 0 IKAFHN Clc1ccc(Cc2nc3ccc(CCN4CCN(c5ccccc5)CC4)cc3[nH]2)cc1 ZINC000001658044 562924147 /nfs/dbraw/zinc/92/41/47/562924147.db2.gz VPUAQCQMOIAGBY-UHFFFAOYSA-N 0 3 430.983 5.172 1 0 IKAFHN COc1ccc2c(c1)OC[C@@H](c1ccccc1)[C@H]2c1ccc(OCCN2CCCC2)cc1 ZINC000001719401 562924457 /nfs/dbraw/zinc/92/44/57/562924457.db2.gz SKXCQODDFFKXHF-XCZPVHLTSA-N 0 3 429.560 5.478 1 0 IKAFHN COc1ccc2c(c1)OC(C)(C)[C@H](c1ccccc1)[C@H]2c1ccc(OCCN(C)C)cc1 ZINC000002021432 562925656 /nfs/dbraw/zinc/92/56/56/562925656.db2.gz IORHSRGNDIZONT-RRPNLBNLSA-N 0 3 431.576 5.722 1 0 IKAFHN COc1cccc2c1CC[C@@H](N1CCCC1)[C@@H]2N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000003780150 562937799 /nfs/dbraw/zinc/93/77/99/562937799.db2.gz SYOPRZWROBOKGX-ZJSXRUAMSA-N 0 3 447.406 5.155 1 0 IKAFHN CCCCN(CCCC)CCCOc1ccc(S(=O)(=O)c2ccoc2C(C)C)cc1 ZINC000003787705 562937879 /nfs/dbraw/zinc/93/78/79/562937879.db2.gz OIMZXCJLBOQRCA-UHFFFAOYSA-N 0 3 435.630 5.907 1 0 IKAFHN CC1(C)CN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](CN2CCCC2)c2ccccc21 ZINC000003787036 562937888 /nfs/dbraw/zinc/93/78/88/562937888.db2.gz GTNQJYKMLZNFMJ-QFIPXVFZSA-N 0 3 431.407 5.493 1 0 IKAFHN Oc1ccc2c(c1)OC[C@H](c1ccccc1)[C@@H]2c1ccc(SCCN2CCCCC2)cc1 ZINC000003965078 562940178 /nfs/dbraw/zinc/94/01/78/562940178.db2.gz ZWHMXMZJPYQRHT-IXCJQBJRSA-N 0 3 445.628 6.278 1 0 IKAFHN CC(C)NC(=O)N(C1CCN(CCCOc2ccc(F)cc2)CC1)C1CCCCCCC1 ZINC000003993837 562940573 /nfs/dbraw/zinc/94/05/73/562940573.db2.gz KKDALAZYEILFRD-UHFFFAOYSA-N 0 3 447.639 5.592 1 0 IKAFHN c1ccc2c(c1)nccc2NCCCCCCCCCCNc1ccnc2ccccc21 ZINC000006117712 562946249 /nfs/dbraw/zinc/94/62/49/562946249.db2.gz LTCUGTXKTQPZNT-UHFFFAOYSA-N 0 3 426.608 7.428 1 0 IKAFHN CCCN(Cc1sc(Nc2ccc(Cl)cc2Cl)nc1C(F)(F)F)CC1CC1 ZINC000013587347 562995617 /nfs/dbraw/zinc/99/56/17/562995617.db2.gz MTGPKDWDNOCSEA-UHFFFAOYSA-N 0 3 438.346 6.834 1 0 IKAFHN Cc1csc([C@@H](C)NC(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)n1 ZINC000012225568 562980982 /nfs/dbraw/zinc/98/09/82/562980982.db2.gz UUCJFRHMTOBCTF-HXUWFJFHSA-N 0 3 449.620 5.028 3 0 IKAFHN COc1cc2[nH]c(-c3ccc4c(c3)[C@H](N3CCCC3)CCO4)cc(=O)c2cc1-c1cnco1 ZINC000012354298 562981232 /nfs/dbraw/zinc/98/12/32/562981232.db2.gz SMWPCVXEONHYQE-JOCHJYFZSA-N 0 3 443.503 5.190 1 0 IKAFHN O=C(Nc1ccccc1-c1ccccc1)NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccc(F)cc1 ZINC000012494853 562982515 /nfs/dbraw/zinc/98/25/15/562982515.db2.gz JVXQTICAQRFDBP-QILAJZQNSA-N 0 3 443.566 6.200 3 0 IKAFHN O=c1c(-c2ccc(OC(F)(F)F)cc2)cccn1[C@H](CN1CCCC1)c1ccccc1 ZINC000013436613 562986009 /nfs/dbraw/zinc/98/60/09/562986009.db2.gz AIGBFJAZWRJQLT-JOCHJYFZSA-N 0 3 428.454 5.099 1 0 IKAFHN Cc1cc(NCc2ccccc2)c2cc(NC(=O)/C=C/c3ccccc3Cl)ccc2n1 ZINC000013448063 562987127 /nfs/dbraw/zinc/98/71/27/562987127.db2.gz IUHCXLNWSPBOKX-SDNWHVSQSA-N 0 3 427.935 6.461 1 0 IKAFHN COC(=O)c1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000013472260 562987917 /nfs/dbraw/zinc/98/79/17/562987917.db2.gz ZNYMHPBIOCZAJN-UHFFFAOYSA-N 0 3 443.587 5.882 1 0 IKAFHN O[C@H](COc1cccc2[nH]ccc21)CN1CCC(c2cc3ccc(Cl)cc3s2)CC1 ZINC000013490093 562990210 /nfs/dbraw/zinc/99/02/10/562990210.db2.gz VIXFISWNURSZBU-IBGZPJMESA-N 0 3 440.996 5.655 1 0 IKAFHN COc1cc2c(cc1OC)CN(CC[C@@H](Oc1ccc(Cl)cc1)c1ccccc1)CC2 ZINC000013530646 562992048 /nfs/dbraw/zinc/99/20/48/562992048.db2.gz MKSJGKFVKSOTMY-XMMPIXPASA-N 0 3 437.967 5.926 1 0 IKAFHN CCCN(Cc1sc(N(C)c2c(C)cc(C)cc2Cl)nc1C(F)(F)F)CC1CC1 ZINC000013587340 562995624 /nfs/dbraw/zinc/99/56/24/562995624.db2.gz ZXTCOIOCSYWXIL-UHFFFAOYSA-N 0 3 445.982 6.822 1 0 IKAFHN CN(CCO)Cc1ccc(-c2cc3nccc(Nc4ccc5[nH]ccc5c4)c3s2)cc1 ZINC000013588187 562995857 /nfs/dbraw/zinc/99/58/57/562995857.db2.gz MVLNKEXGMMGTDC-UHFFFAOYSA-N 0 3 428.561 5.612 1 0 IKAFHN O=C1c2ccc(OCc3cccnc3)cc2CC[C@H]1CCN1CCC(c2ccccc2)CC1 ZINC000013588387 562995976 /nfs/dbraw/zinc/99/59/76/562995976.db2.gz ZIECFGISGYNQRZ-VWLOTQADSA-N 0 3 440.587 5.675 1 0 IKAFHN O=C1c2ccc(OCc3ccccn3)cc2CC[C@@H]1CCN1CCC(c2ccccc2)CC1 ZINC000013588384 562996007 /nfs/dbraw/zinc/99/60/07/562996007.db2.gz ANPLKMIAFZFDGF-XMMPIXPASA-N 0 3 440.587 5.675 1 0 IKAFHN CC1(C)CN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](CN2CCCC2)c2ccccc21 ZINC000013726261 563001408 /nfs/dbraw/zinc/00/14/08/563001408.db2.gz GTNQJYKMLZNFMJ-JOCHJYFZSA-N 0 3 431.407 5.493 1 0 IKAFHN COc1cccc2c1CCC=C2CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000013733311 563002035 /nfs/dbraw/zinc/00/20/35/563002035.db2.gz SYKZOUNLFRNQDR-UHFFFAOYSA-N 0 3 430.514 5.646 1 0 IKAFHN CCCCc1ccc(/C(=C(\CC)c2ccccc2)c2ccc(OCCN(C)C)cc2)cc1 ZINC000013740238 563003011 /nfs/dbraw/zinc/00/30/11/563003011.db2.gz QLFPRKOTMZSGJV-FLWNBWAVSA-N 0 3 427.632 7.339 1 0 IKAFHN FC(F)(F)c1cc(CO[C@@H]2C3CCN(CC3)[C@@H]2Cc2ccccc2)cc(C(F)(F)F)c1 ZINC000013744532 563003818 /nfs/dbraw/zinc/00/38/18/563003818.db2.gz JOTMNMNWQYWMOE-NHCUHLMSSA-N 0 3 443.431 5.946 1 0 IKAFHN CN(C)[C@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c2ccccc21 ZINC000013757973 563004587 /nfs/dbraw/zinc/00/45/87/563004587.db2.gz UFEYOJAXAPVSJT-QHCPKHFHSA-N 0 3 447.966 5.636 1 0 IKAFHN Cc1ccccc1C(=O)N(C)c1ccc(C(=O)N2CCC[C@@H](N(C)C)c3ccccc32)cc1 ZINC000013758028 563004640 /nfs/dbraw/zinc/00/46/40/563004640.db2.gz OOPNPCJITFJIQZ-RUZDIDTESA-N 0 3 441.575 5.315 1 0 IKAFHN Cc1cccc(C(=O)Nc2ccc(C(=O)N3CCC[C@H](N(C)C)c4ccccc43)cc2)c1 ZINC000013757965 563004659 /nfs/dbraw/zinc/00/46/59/563004659.db2.gz LJSUKZDREGZECP-DEOSSOPVSA-N 0 3 427.548 5.291 1 0 IKAFHN CN(CCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1Cl)Cc1ccccc1 ZINC000013814687 563009212 /nfs/dbraw/zinc/00/92/12/563009212.db2.gz VNFICCZXOXJULI-UHFFFAOYSA-N 0 3 445.415 6.605 1 0 IKAFHN O=C(C1CCC1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000013817808 563009626 /nfs/dbraw/zinc/00/96/26/563009626.db2.gz KROLNNVAILXBJV-UHFFFAOYSA-N 0 3 427.386 5.247 1 0 IKAFHN COc1cccc(CN2CCC(N3C(=O)Nc4ccccc4[C@@H]3c3ccccc3)CC2)c1 ZINC000013905967 563013939 /nfs/dbraw/zinc/01/39/39/563013939.db2.gz UYHOJKWVMNWOSQ-SANMLTNESA-N 0 3 427.548 5.297 1 0 IKAFHN COc1ccc([S@](=O)c2ccc(C(=O)C3CCN(C4CCCCC4)CC3)cc2)cc1 ZINC000013909771 563013962 /nfs/dbraw/zinc/01/39/62/563013962.db2.gz GTJOIOQFIDFYOI-PMERELPUSA-N 0 3 425.594 5.089 1 0 IKAFHN Brc1ccc(/C=C/CNCCOc2cncc(/C=C/c3ccncc3)c2)cc1 ZINC000014957706 563015921 /nfs/dbraw/zinc/01/59/21/563015921.db2.gz BRTUFPWBSLVVMJ-MVJNYCIBSA-N 0 3 436.353 5.091 1 0 IKAFHN Oc1ccc2c(c1)sc(-c1ccccc1)c2Oc1ccc(OCCN2CCCCC2)cc1 ZINC000014970926 563016553 /nfs/dbraw/zinc/01/65/53/563016553.db2.gz AMGFCHULXKRDJH-UHFFFAOYSA-N 0 3 445.584 6.931 1 0 IKAFHN CN(C)CCOc1ccc(/C(=C(/CCCCO)c2ccccc2)c2ccc(O)cc2)cc1 ZINC000014978680 563017273 /nfs/dbraw/zinc/01/72/73/563017273.db2.gz KRPGZUBOFAMQPA-DQSJHHFOSA-N 0 3 431.576 5.454 1 0 IKAFHN CCOc1cc(-c2sc([N-]c3cc(C)ccc3OC)n[n+]2-c2ccccc2)ccc1OC ZINC000015936899 563019087 /nfs/dbraw/zinc/01/90/87/563019087.db2.gz WVFZHFLCSWLYKE-UHFFFAOYSA-N 0 3 448.568 5.555 3 0 IKAFHN COc1ccc(C)cc1[N-]c1n[n+](-c2ccccc2)c(-c2cccc(Cl)c2Cl)s1 ZINC000015936897 563019117 /nfs/dbraw/zinc/01/91/17/563019117.db2.gz MOFLFXVZDBIPHA-UHFFFAOYSA-N 0 3 443.379 6.454 3 0 IKAFHN c1ccc(CCCN2CCN(CCCN(Cc3ccccc3)c3ccccc3)CC2)cc1 ZINC000022925707 563025911 /nfs/dbraw/zinc/02/59/11/563025911.db2.gz ZKMLAACIBJTRKI-UHFFFAOYSA-N 0 3 427.636 5.334 1 0 IKAFHN C[C@@H]1CN(CCOC(c2ccccc2)c2ccccc2)[C@@H](C)CN1CCCc1ccccc1 ZINC000022938454 563026536 /nfs/dbraw/zinc/02/65/36/563026536.db2.gz XFHMIYUKNNXRRC-FTJBHMTQSA-N 0 3 442.647 5.820 1 0 IKAFHN Clc1ccccc1CCCN1CCC(COC(c2ccccc2)c2ccccc2)CC1 ZINC000025993982 563028091 /nfs/dbraw/zinc/02/80/91/563028091.db2.gz ZUKHNQCGAJTYII-UHFFFAOYSA-N 0 3 434.023 6.791 1 0 IKAFHN CN(C)CCOc1ccc(C(=O)c2c3ccc(O)cc3sc2-c2ccc(O)cc2)cc1 ZINC000026009283 563028359 /nfs/dbraw/zinc/02/83/59/563028359.db2.gz GVHFVTLDHBPKOF-UHFFFAOYSA-N 0 3 433.529 5.151 1 0 IKAFHN C[C@@H](NC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)c1cccc2ccccc21 ZINC000026154133 563029012 /nfs/dbraw/zinc/02/90/12/563029012.db2.gz JVELVBSSYRSDHV-QPPBQGQZSA-N 0 3 444.600 5.080 1 0 IKAFHN Oc1ccc2c(c1)sc(C1CCCCC1)c2Cc1ccc(OCCN2CCCCC2)cc1 ZINC000026173197 563029455 /nfs/dbraw/zinc/02/94/55/563029455.db2.gz YLSJHPWZERMRFI-UHFFFAOYSA-N 0 3 449.660 7.110 1 0 IKAFHN COc1ccc2c(c1)OC[C@@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCCC2)cc1 ZINC000026255985 563030151 /nfs/dbraw/zinc/03/01/51/563030151.db2.gz GOCOLXIVFQWUBL-LMSSTIIKSA-N 0 3 443.587 5.868 1 0 IKAFHN COc1ccc2c(cc3n2Cc2c-3nc3ccc(OCCN4CCCCC4)cc3c2C)c1 ZINC000026401436 563031801 /nfs/dbraw/zinc/03/18/01/563031801.db2.gz LAYUNMASFUUEMN-UHFFFAOYSA-N 0 3 427.548 5.400 1 0 IKAFHN CCc1c2c(nc3ccc(OCCN4CCCCC4)cc31)-c1cc3cc(OC)ccc3n1C2 ZINC000026402946 563031934 /nfs/dbraw/zinc/03/19/34/563031934.db2.gz BHCBILDOSZFBDU-UHFFFAOYSA-N 0 3 441.575 5.654 1 0 IKAFHN CCc1c2c(nc3ccc(OCCN4CCCCC4)cc31)-c1cc3cc(O)ccc3n1C2 ZINC000026403752 563031952 /nfs/dbraw/zinc/03/19/52/563031952.db2.gz XTZXUZWNICEDHL-UHFFFAOYSA-N 0 3 427.548 5.351 1 0 IKAFHN CC/C(=C(\c1ccc(OCCN(C)C)cc1)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000026567749 563033185 /nfs/dbraw/zinc/03/31/85/563033185.db2.gz GQOPYPFDMRFHBS-RQZHXJHFSA-N 0 3 449.616 5.400 1 0 IKAFHN CCC(=O)N(c1ccccc1)C1(c2nc(C)cs2)CCN(CCc2ccccc2)CC1 ZINC000026572060 563033337 /nfs/dbraw/zinc/03/33/37/563033337.db2.gz KATBOLJYYSTEGI-UHFFFAOYSA-N 0 3 433.621 5.429 1 0 IKAFHN c1ccc(C2CCN(C[C@@H]3C[C@@H]4c5ccccc5Sc5ccccc5[C@H]4O3)CC2)cc1 ZINC000026663131 563035081 /nfs/dbraw/zinc/03/50/81/563035081.db2.gz ODJIGTDOQQQJKM-UTOLSJPLSA-N 0 3 427.613 6.645 1 0 IKAFHN CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CCC(N)=O)CC1 ZINC000026665326 563035228 /nfs/dbraw/zinc/03/52/28/563035228.db2.gz ZZHNOVUUFUFNLN-QZTJIDSGSA-N 0 3 428.617 5.218 1 0 IKAFHN COc1ccc([C@@H]2Sc3cc(C(F)(F)F)ccc3N(CCN(C)C)C(=O)[C@@H]2C)cc1 ZINC000026672455 563035372 /nfs/dbraw/zinc/03/53/72/563035372.db2.gz GIPPORVRIGWAOU-JLTOFOAXSA-N 0 3 438.515 5.092 1 0 IKAFHN CCOc1c(-c2csc(-c3cc(C(=N)N)sc3SC)n2)cnn1-c1ccccc1 ZINC000026824846 563037041 /nfs/dbraw/zinc/03/70/41/563037041.db2.gz XJCFEOOXFILUMJ-UHFFFAOYSA-N 0 3 441.607 5.129 1 0 IKAFHN CCN1CCN(c2ccc([C@@H]3Oc4ccc(O)cc4S[C@@H]3c3ccc(O)cc3)cc2)CC1 ZINC000027201927 563040585 /nfs/dbraw/zinc/04/05/85/563040585.db2.gz VIOALNJIAUKRMB-IZZNHLLZSA-N 0 3 448.588 5.207 1 0 IKAFHN NCc1c(N)nc2c(c1-c1ccc(Cl)cc1Cl)Cc1cc(Br)ccc1-2 ZINC000027212216 563041073 /nfs/dbraw/zinc/04/10/73/563041073.db2.gz SDKDZZQBWNHFFL-UHFFFAOYSA-N 0 3 435.152 5.430 1 0 IKAFHN CCCCN1C[C@H](C(=O)OC2CCCCC2)C[C@@H]2c3cccc4c3c(cn4C(C)C)C[C@@H]21 ZINC000027518428 563042614 /nfs/dbraw/zinc/04/26/14/563042614.db2.gz ONLUPAGVWPDBBI-QQSVUBKYSA-N 0 3 436.640 6.228 1 0 IKAFHN CN1c2ccccc2C(c2ccccc2F)=NC[C@@H]1CNc1cccc(C(F)(F)F)c1 ZINC000027521703 563042764 /nfs/dbraw/zinc/04/27/64/563042764.db2.gz UCJYVPYJDOOMRP-SFHVURJKSA-N 0 3 427.445 5.612 1 0 IKAFHN Cn1c2ccccc2c2c1CC[C@@H](CN1CC=C(c3c[nH]c4ccc(F)cc34)CC1)C2=O ZINC000027738299 563046473 /nfs/dbraw/zinc/04/64/73/563046473.db2.gz MREHFQAOUHEUFA-SFHVURJKSA-N 0 3 427.523 5.333 1 0 IKAFHN COc1cccc2c1CC[C@H](N1CCCC1)[C@H]2N(C)C(=O)Cc1cccc2sccc21 ZINC000027852224 563047355 /nfs/dbraw/zinc/04/73/55/563047355.db2.gz JFZGDZJGFHYWIF-NVQXNPDNSA-N 0 3 434.605 5.063 1 0 IKAFHN O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCN(CCc2c[nH]c3ccccc23)CC1 ZINC000027985429 563048752 /nfs/dbraw/zinc/04/87/52/563048752.db2.gz DYXYTQZYROYOMJ-UHFFFAOYSA-N 0 3 431.367 5.303 1 0 IKAFHN CSc1sc(C(=N)N)cc1-c1csc(Nc2ccc(C3CCCCC3)cc2)n1 ZINC000027999735 563049169 /nfs/dbraw/zinc/04/91/69/563049169.db2.gz NELHQWBZKJRQAS-UHFFFAOYSA-N 0 3 428.652 6.669 1 0 IKAFHN CSc1sc(C(=N)N)cc1-c1csc(Nc2ccc(Cc3ccccc3)cc2)n1 ZINC000028012831 563049749 /nfs/dbraw/zinc/04/97/49/563049749.db2.gz MUJFCLDCVTWHPO-UHFFFAOYSA-N 0 3 436.631 6.212 1 0 IKAFHN COc1ccc2c(c1)CO[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1 ZINC000028336547 563052758 /nfs/dbraw/zinc/05/27/58/563052758.db2.gz DOVSMOALZRRPAR-VSGBNLITSA-N 0 3 429.560 5.573 1 0 IKAFHN O=C1[C@@H](c2ccc(Cl)c(Cl)c2)CC=CCN1[C@H](CN1CCCC1)c1ccccc1 ZINC000028374070 563053860 /nfs/dbraw/zinc/05/38/60/563053860.db2.gz DVTNAPPKBSPOMR-NFBKMPQASA-N 0 3 429.391 5.703 1 0 IKAFHN CCNC(=O)c1ccc(C(c2cccc(F)c2)=C2C[C@H]3CC[C@@H](C2)N3Cc2ccoc2)cc1 ZINC000028394796 563054624 /nfs/dbraw/zinc/05/46/24/563054624.db2.gz XHQKGIVCXDJJCO-WMPKNSHKSA-N 0 3 444.550 5.797 1 0 IKAFHN O=C1[C@H](c2ccc(C(F)(F)F)cc2)CC=CCN1[C@H](CN1CCCC1)c1ccccc1 ZINC000028455817 563054666 /nfs/dbraw/zinc/05/46/66/563054666.db2.gz ASGNSBZVWDMQMJ-XZOQPEGZSA-N 0 3 428.498 5.415 1 0 IKAFHN CCCC[C@H]1c2c3ccccc3[nH]c2[C@H]2Oc3c4c(ccc3OC)C[C@@H]3[C@H]1[C@@]42CCN3C ZINC000028520515 563055915 /nfs/dbraw/zinc/05/59/15/563055915.db2.gz RJLOZLWGWXBUEL-MCFFQHNPSA-N 0 3 428.576 5.712 1 0 IKAFHN Cc1cccc(C(=O)Nc2ccccc2NC(=O)OCC2CCN(c3ccncc3)CC2)c1 ZINC000028525651 563056797 /nfs/dbraw/zinc/05/67/97/563056797.db2.gz MKNSUNPJQJTAHI-UHFFFAOYSA-N 0 3 444.535 5.107 1 0 IKAFHN Cc1ccc(S(=O)(=O)n2cc([C@@H]3CCN(Cc4ccccc4)C3)c3ccccc32)cc1 ZINC000028526105 563056853 /nfs/dbraw/zinc/05/68/53/563056853.db2.gz KADCFEDAPDSNRT-JOCHJYFZSA-N 0 3 430.573 5.176 1 0 IKAFHN Cc1cc(N(C)CCN(C)C)nc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc12 ZINC000028570125 563059018 /nfs/dbraw/zinc/05/90/18/563059018.db2.gz MTPRCFWBPJTYBZ-UHFFFAOYSA-N 0 3 438.575 5.460 1 0 IKAFHN Cc1cccc(C)c1Nc1ncc(-c2ccc(OCCN3CCCC3)cc2)n2cncc12 ZINC000028642463 563060494 /nfs/dbraw/zinc/06/04/94/563060494.db2.gz DKCHQSQIPABWFR-UHFFFAOYSA-N 0 3 427.552 5.231 1 0 IKAFHN O=C(CCCN1CCN(Cc2ccccc2)CC1)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000028647187 563060874 /nfs/dbraw/zinc/06/08/74/563060874.db2.gz UIWATRPYPJGZGZ-UHFFFAOYSA-N 0 3 440.802 5.183 1 0 IKAFHN O=C(Nc1ccc(F)c(Cl)c1)N(CCN1CCCC1)[C@H]1CC=C(c2cccnc2)CC1 ZINC000028650206 563061063 /nfs/dbraw/zinc/06/10/63/563061063.db2.gz XRKKPQCDVNMDGA-NRFANRHFSA-N 0 3 442.966 5.440 1 0 IKAFHN O=C(Nc1ccc(Oc2ccccc2)cc1)NC1CCN(CC2=CCCCCCC2)CC1 ZINC000028708503 563062262 /nfs/dbraw/zinc/06/22/62/563062262.db2.gz XAEAVYKECCXTFL-UHFFFAOYSA-N 0 3 433.596 6.345 1 0 IKAFHN CC1(C)[C@@H]2C[C@H]1C(CN1CCC(NC(=O)Nc3cc(F)cc(C(F)(F)F)c3)CC1)=CC2 ZINC000028708714 563062340 /nfs/dbraw/zinc/06/23/40/563062340.db2.gz UUKPEFZKFTUGFE-YWZLYKJASA-N 0 3 439.497 5.423 1 0 IKAFHN CC1(C)[C@@H]2C[C@H]1C(CN1CCC(NC(=O)Nc3cccc(OC(F)(F)F)c3)CC1)=CC2 ZINC000028708679 563062358 /nfs/dbraw/zinc/06/23/58/563062358.db2.gz KSTPUYRHIGGZRH-JXFKEZNVSA-N 0 3 437.506 5.164 1 0 IKAFHN Cc1ccc(NC(=O)C(C)C)cc1C1CCN(CCCNC(=O)[C@H](C)c2ccccc2)CC1 ZINC000028710185 563062490 /nfs/dbraw/zinc/06/24/90/563062490.db2.gz NJJVZQKTUZLDJG-JOCHJYFZSA-N 0 3 449.639 5.079 1 0 IKAFHN Cc1ccc(Oc2cccc(CN3CCC(c4cccc(NC(=O)C(C)C)c4)CC3)c2)cc1 ZINC000028710576 563062649 /nfs/dbraw/zinc/06/26/49/563062649.db2.gz XVSVZEAYULOQSI-UHFFFAOYSA-N 0 3 442.603 6.761 1 0 IKAFHN COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCCN1CCCC[C@H]1C ZINC000028819842 563065191 /nfs/dbraw/zinc/06/51/91/563065191.db2.gz SEHYKDKJFNZRFG-OAHLLOKOSA-N 0 3 449.378 5.416 1 0 IKAFHN COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCCN1CCC[C@H](C)C1 ZINC000028819836 563065240 /nfs/dbraw/zinc/06/52/40/563065240.db2.gz PDPHGOYIBMEXMB-HNNXBMFYSA-N 0 3 449.378 5.273 1 0 IKAFHN COc1ccc(CN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000028827100 563066582 /nfs/dbraw/zinc/06/65/82/563066582.db2.gz XCZZAQJAATWEHZ-UHFFFAOYSA-N 0 3 444.554 5.309 1 0 IKAFHN Oc1ccc(-c2ccc(-c3cc(Nc4ccc(CN5CCCCC5)nc4)n[nH]3)cc2)c(O)c1 ZINC000028868343 563067393 /nfs/dbraw/zinc/06/73/93/563067393.db2.gz IGJLHXDDOCFAPF-UHFFFAOYSA-N 0 3 441.535 5.279 1 0 IKAFHN CCN(CCC1CC1)Cc1c(C)nc2n1c1cccnc1n2-c1c(C)cc(C)cc1Cl ZINC000028903755 563069230 /nfs/dbraw/zinc/06/92/30/563069230.db2.gz CNNNXILIEROLAZ-UHFFFAOYSA-N 0 3 436.003 5.874 1 0 IKAFHN Fc1ccc([C@@H](c2ccccc2)c2c(OCCN3CCCC3)ccc3ccccc32)cc1 ZINC000028955576 563070178 /nfs/dbraw/zinc/07/01/78/563070178.db2.gz LSUQXCGHACQRNU-MUUNZHRXSA-N 0 3 425.547 6.634 1 0 IKAFHN CCCCCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)C)ccn32)n1 ZINC000028963570 563070871 /nfs/dbraw/zinc/07/08/71/563070871.db2.gz RDTAVBQNSLUERJ-UHFFFAOYSA-N 0 3 446.574 5.651 1 0 IKAFHN CC[C@@]1(CCCCCN2CCN(c3cccc(Cl)c3)CC2)c2ccccc2NC1=O ZINC000029053270 563073167 /nfs/dbraw/zinc/07/31/67/563073167.db2.gz TWTQICWKAXHGTE-RUZDIDTESA-N 0 3 426.004 5.323 1 0 IKAFHN CC[C@]1(CCCCCN2CCN(c3cccc(Cl)c3)CC2)c2ccccc2NC1=O ZINC000029053265 563073213 /nfs/dbraw/zinc/07/32/13/563073213.db2.gz TWTQICWKAXHGTE-VWLOTQADSA-N 0 3 426.004 5.323 1 0 IKAFHN CC[C@]1(CCCCN2CCN(c3ccc(F)c(Cl)c3)CC2)C(=O)Nc2ccccc21 ZINC000029054969 563073426 /nfs/dbraw/zinc/07/34/26/563073426.db2.gz MKAIBBXLYYMCBV-XMMPIXPASA-N 0 3 429.967 5.072 1 0 IKAFHN c1ccc([N-]c2n[n+](-c3ccccc3)c(CCCCc3ccc4c(c3)OCO4)s2)cc1 ZINC000029063839 563073756 /nfs/dbraw/zinc/07/37/56/563073756.db2.gz LGHGAGSSQRHLTJ-UHFFFAOYSA-N 0 3 430.553 5.458 1 0 IKAFHN COc1ccc([C@H](c2cccs2)c2ccc(OC[C@@H](O)CN3CCCCC3)cc2)cc1 ZINC000029131576 563075687 /nfs/dbraw/zinc/07/56/87/563075687.db2.gz XQVYFUMOSPOTPL-NVQXNPDNSA-N 0 3 437.605 5.163 1 0 IKAFHN COc1ccc(CCN(C)C/C=C/C2(C(C)C)c3ccccc3-c3ccccc32)cc1OC ZINC000029389790 563078831 /nfs/dbraw/zinc/07/88/31/563078831.db2.gz WLMOCICMFBCNTO-VCHYOVAHSA-N 0 3 441.615 6.357 1 0 IKAFHN COc1c2ccoc2c(OC)c(OCCN2CCCCC2)c1NC(=O)OC1CCCCC1 ZINC000029405169 563079571 /nfs/dbraw/zinc/07/95/71/563079571.db2.gz JPMDTGOFHDMILE-UHFFFAOYSA-N 0 3 446.544 5.196 1 0 IKAFHN CC(C)NCc1cccc(/C=C/c2nc3ccc(F)cc3c(=O)n2-c2ccccc2Cl)n1 ZINC000029483096 563081264 /nfs/dbraw/zinc/08/12/64/563081264.db2.gz VFCRCXFGVONREG-ACCUITESSA-N 0 3 448.929 5.242 1 0 IKAFHN C[C@H](Cn1c2ccccc2nc1NC1CCN(CCc2ccccc2)CC1)c1ccccc1 ZINC000029558850 563082179 /nfs/dbraw/zinc/08/21/79/563082179.db2.gz PPKVHBYTSUNEDJ-HSZRJFAPSA-N 0 3 438.619 5.959 1 0 IKAFHN Cc1c2ccccc2n(Cc2ccc(OCCN3CCCCC3)cc2)c1-c1ccc(O)cc1 ZINC000033965597 563085133 /nfs/dbraw/zinc/08/51/33/563085133.db2.gz VPYBSADPUFKKNQ-UHFFFAOYSA-N 0 3 440.587 6.235 1 0 IKAFHN OC(c1ccc(F)cc1)(c1ccc(F)cc1)C1CCN(CCCOc2ccccc2)CC1 ZINC000034289843 563086012 /nfs/dbraw/zinc/08/60/12/563086012.db2.gz ZTPCPGLQHARQTG-UHFFFAOYSA-N 0 3 437.530 5.382 1 0 IKAFHN CCN(Cc1c(C(F)(F)F)nc2n1cc(Cl)n2-c1c(C)cc(C)cc1C)CC1CC1 ZINC000034298587 563086026 /nfs/dbraw/zinc/08/60/26/563086026.db2.gz XULKXQDGWXRMRE-UHFFFAOYSA-N 0 3 438.925 5.954 1 0 IKAFHN O=C(Nc1ccc2nc(CN3CCCC3)ccc2c1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000034350908 563086093 /nfs/dbraw/zinc/08/60/93/563086093.db2.gz MCXDOOMLRVVNIJ-UHFFFAOYSA-N 0 3 425.507 5.889 1 0 IKAFHN O=C(Nc1ccccc1Cl)O[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 ZINC000034631118 563086623 /nfs/dbraw/zinc/08/66/23/563086623.db2.gz UBMJTPXGHBYFOE-UIOOFZCWSA-N 0 3 446.978 6.183 1 0 IKAFHN O=C1NC(c2ccccc2)(c2ccccc2)CN1[C@@H]1CCCN(Cc2ccccc2)CC1 ZINC000034802148 563087589 /nfs/dbraw/zinc/08/75/89/563087589.db2.gz KVCMZPILKHYETB-AREMUKBSSA-N 0 3 425.576 5.010 1 0 IKAFHN Cc1cccc(CN2CCC(N3C[C@](c4ccccc4)(C4CCCCC4)NC3=O)CC2)c1 ZINC000034802124 563087596 /nfs/dbraw/zinc/08/75/96/563087596.db2.gz MRELIADAHWJAPD-NDEPHWFRSA-N 0 3 431.624 5.460 1 0 IKAFHN O=c1[nH]c2ccc(-c3cn[nH]c3)cc2cc1-c1cc2cc(CN3CCC(F)CC3)ccc2[nH]1 ZINC000034804267 563087903 /nfs/dbraw/zinc/08/79/03/563087903.db2.gz ICHOLMVVOUHOKK-UHFFFAOYSA-N 0 3 441.510 5.000 1 0 IKAFHN O=C(Nc1ccccc1Cl)O[C@@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 ZINC000035820521 563089995 /nfs/dbraw/zinc/08/99/95/563089995.db2.gz UBMJTPXGHBYFOE-CLJLJLNGSA-N 0 3 446.978 6.183 1 0 IKAFHN FC(F)(F)c1cccc(N2CCN(CCCCNc3nccc4ccccc43)CC2)c1 ZINC000035801959 563090037 /nfs/dbraw/zinc/09/00/37/563090037.db2.gz KFWSEMIBLPIBOC-UHFFFAOYSA-N 0 3 428.502 5.268 1 0 IKAFHN CN(C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(NCC(C)(C)C)n1 ZINC000036160910 563091483 /nfs/dbraw/zinc/09/14/83/563091483.db2.gz SEUAGPYRVMNDGJ-UHFFFAOYSA-N 0 3 432.547 5.117 1 0 IKAFHN CC(C)C[C@H](N)c1cc(F)ccc1N1CCN(C(=O)[C@@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000036285825 563092463 /nfs/dbraw/zinc/09/24/63/563092463.db2.gz YUFHFXQMTLZCJK-MBSDFSHPSA-N 0 3 446.010 5.052 1 0 IKAFHN CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)OCCC(c2ccccc2)c2ccccc2)C1 ZINC000036270776 563092484 /nfs/dbraw/zinc/09/24/84/563092484.db2.gz QZJCKWFHBYEESM-RRPNLBNLSA-N 0 3 448.006 6.141 1 0 IKAFHN CCCc1cc(N2CCC2)c2cc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)ccc2n1 ZINC000036351780 563093338 /nfs/dbraw/zinc/09/33/38/563093338.db2.gz OUEVVRHUJPXHLA-KPKJPENVSA-N 0 3 439.481 6.068 1 0 IKAFHN CCOc1cc(OCC)cc(C(=O)NC2CCN(Cc3ccc4ccccc4c3)CC2)c1 ZINC000036351822 563093422 /nfs/dbraw/zinc/09/34/22/563093422.db2.gz VFOOFCIVGVEOCK-UHFFFAOYSA-N 0 3 432.564 5.032 1 0 IKAFHN CCCN(CCCCNc1ccnc2cc(Cl)ccc21)Cc1c(F)cccc1OC ZINC000036474296 563095448 /nfs/dbraw/zinc/09/54/48/563095448.db2.gz PHGNXDJTAZLWNF-UHFFFAOYSA-N 0 3 429.967 6.140 1 0 IKAFHN CCCc1cc(NC2CC2)c2cc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)ccc2n1 ZINC000038149838 563096621 /nfs/dbraw/zinc/09/66/21/563096621.db2.gz XONNPPGYQWZTEN-AWNIVKPZSA-N 0 3 439.481 6.432 1 0 IKAFHN CN(C)CC1=Cc2ccc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)cc2CC1 ZINC000038149699 563096646 /nfs/dbraw/zinc/09/66/46/563096646.db2.gz PBLFIAGNVFEMPX-UHFFFAOYSA-N 0 3 447.991 5.659 1 0 IKAFHN C/C=C/CN1CC[C@@H](N(c2ccc(C(=O)N(CC)CC)cc2)c2cccc(O)c2)[C@@H](C)C1 ZINC000038156728 563096890 /nfs/dbraw/zinc/09/68/90/563096890.db2.gz HHHAZGZTYBCEPX-QDLRQAPESA-N 0 3 435.612 5.299 1 0 IKAFHN CC(C)N1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O ZINC000038428938 563097777 /nfs/dbraw/zinc/09/77/77/563097777.db2.gz XUXIHOIDTQZHEK-UHFFFAOYSA-N 0 3 439.603 5.325 1 0 IKAFHN c1ccc(C(CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc2)cc1 ZINC000038639950 563098088 /nfs/dbraw/zinc/09/80/88/563098088.db2.gz CLZJJBZJUIWHJT-UHFFFAOYSA-N 0 3 446.638 6.616 1 0 in-vivo IKAFHN Cc1c(Br)c(C(F)F)sc1CNCCCNc1nc2cscc2[nH]1 ZINC000038805030 563098379 /nfs/dbraw/zinc/09/83/79/563098379.db2.gz QTRXSZTWZPDQBH-UHFFFAOYSA-N 0 3 435.363 5.286 1 0 IKAFHN CC(C)Sc1nc2ccccc2n1C1CCN(CCCC(=O)c2ccc(F)cc2)CC1 ZINC000039438251 563099204 /nfs/dbraw/zinc/09/92/04/563099204.db2.gz UAKGJGUDONHBET-UHFFFAOYSA-N 0 3 439.600 5.976 1 0 IKAFHN C(=C/c1ccccc1)\CN1CCN(CCCCn2c3ccccc3c3c2CCCC3)CC1 ZINC000040379680 563099475 /nfs/dbraw/zinc/09/94/75/563099475.db2.gz LSGHEYFAOKSPIN-JLHYYAGUSA-N 0 3 427.636 5.631 1 0 IKAFHN CN1CCN(c2cnc3cc(C(F)(F)F)cc(-c4cccc(Cl)c4Cl)c3n2)CC1 ZINC000040379597 563099481 /nfs/dbraw/zinc/09/94/81/563099481.db2.gz HHAVQAFNNPOLLY-UHFFFAOYSA-N 0 3 441.284 5.374 1 0 IKAFHN O=C1C[C@@H](CN2CCC(c3noc4cc(F)ccc43)CC2)Cc2oc(-c3ccccc3)cc21 ZINC000040391678 563099859 /nfs/dbraw/zinc/09/98/59/563099859.db2.gz VMIRJSPUFWFFPK-QGZVFWFLSA-N 0 3 444.506 5.852 1 0 IKAFHN COc1ccc(N2CCc3c2nccc3-n2ccc(-c3nccs3)n2)c(C(F)F)c1 ZINC000040392927 563100122 /nfs/dbraw/zinc/10/01/22/563100122.db2.gz ZBVHAUOJYMRZHW-UHFFFAOYSA-N 0 3 425.464 5.031 1 0 IKAFHN NC[C@H](NC(=O)c1cc(-c2ccccc2)c(-c2ccnc3[nH]ccc32)s1)c1ccccc1 ZINC000040408980 563101508 /nfs/dbraw/zinc/10/15/08/563101508.db2.gz NOROMZLDWXCWKI-QFIPXVFZSA-N 0 3 438.556 5.388 1 0 IKAFHN C[C@H](N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1)c1cccc2ccccc21 ZINC000040766924 563106657 /nfs/dbraw/zinc/10/66/57/563106657.db2.gz NSFZDYBBKDKESR-PKKBDPGCSA-N 0 3 443.012 5.434 1 0 IKAFHN COc1cccc(C2(CNC(=O)Nc3c(C(C)C)cccc3C(C)C)CCN(C)CC2)c1 ZINC000040864801 563108630 /nfs/dbraw/zinc/10/86/30/563108630.db2.gz XKFNBMQIZDHRGF-UHFFFAOYSA-N 0 3 437.628 5.727 1 0 IKAFHN c1ccc2c(c1)c1ccccc1n2CCCCN1CCN(CCCC2CCCCC2)CC1 ZINC000040867147 563108951 /nfs/dbraw/zinc/10/89/51/563108951.db2.gz WCORUVBXFPSZRY-UHFFFAOYSA-N 0 3 431.668 6.553 1 0 IKAFHN COc1ccc2c(c1)OCCC(c1ccc(O)cc1)=C2c1ccc(OCCN2CCC2)cc1 ZINC000040894446 563110289 /nfs/dbraw/zinc/11/02/89/563110289.db2.gz GCBFPUAODJOKRS-UHFFFAOYSA-N 0 3 443.543 5.227 1 0 IKAFHN Fc1ccc2c(c1)OCCC(c1ccccc1)=C2c1ccc(OCCN2CCCC2)cc1 ZINC000040894866 563110335 /nfs/dbraw/zinc/11/03/35/563110335.db2.gz BSPFIIPEVRUTTR-UHFFFAOYSA-N 0 3 429.535 6.042 1 0 IKAFHN O=C(CCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)NCc1ccccc1 ZINC000040954055 563114367 /nfs/dbraw/zinc/11/43/67/563114367.db2.gz LQFAQQWXFSOOQJ-UHFFFAOYSA-N 0 3 441.619 5.352 1 0 in-vivo IKAFHN C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CN2C ZINC000042887592 563115938 /nfs/dbraw/zinc/11/59/38/563115938.db2.gz RPNUGHPOPSPHKR-XMSHHSNWSA-N 0 3 427.673 5.629 1 0 IKAFHN O=C1Cc2ccccc2N1Cc1cccc(CN2CCN(c3cccc4ccccc43)CC2)c1 ZINC000042888733 563116013 /nfs/dbraw/zinc/11/60/13/563116013.db2.gz XNXNUDBDHIHMLW-UHFFFAOYSA-N 0 3 447.582 5.251 1 0 IKAFHN Cn1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1Cl ZINC000042989894 563116357 /nfs/dbraw/zinc/11/63/57/563116357.db2.gz XOHSYVVYPQWYLA-UHFFFAOYSA-N 0 3 434.798 6.747 1 0 IKAFHN COC(=O)c1cccc(CNCc2cccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)c2)c1 ZINC000045191839 563123723 /nfs/dbraw/zinc/12/37/23/563123723.db2.gz SZLQEZOVOLCFQQ-UHFFFAOYSA-N 0 3 447.538 5.973 1 0 IKAFHN N=C(NCCCCC1CCCCC1)c1cccc(C(=N)NCCCCC2CCCCC2)n1 ZINC000045200992 563124588 /nfs/dbraw/zinc/12/45/88/563124588.db2.gz BGUPUNLGDVRBQN-UHFFFAOYSA-N 0 3 439.692 6.413 1 0 IKAFHN Cn1nc(-c2cccc(CN[C@@H]3CCc4ccccc43)c2)c2cnc(NC3CCCC3)nc21 ZINC000045202862 563125119 /nfs/dbraw/zinc/12/51/19/563125119.db2.gz ZXJAWQRMIYVOKP-XMMPIXPASA-N 0 3 438.579 5.162 1 0 IKAFHN O=C(Nc1ccc(Cl)cc1)c1ccc(CN2CCCN(Cc3cccc(O)c3)CC2)cc1 ZINC000045211226 563125373 /nfs/dbraw/zinc/12/53/73/563125373.db2.gz OMFZIXUTMGLNHE-UHFFFAOYSA-N 0 3 449.982 5.006 1 0 IKAFHN c1ccc2[nH]c(-c3cccc(-c4cccc(CN5CCN(c6ccncc6)CC5)c4)c3)nc2c1 ZINC000045227619 563125604 /nfs/dbraw/zinc/12/56/04/563125604.db2.gz KOFMEMRVNHJGTP-UHFFFAOYSA-N 0 3 445.570 5.614 1 0 IKAFHN CC(C)CCN1CC[C@@H](Oc2ccc(NC(=O)c3ccc4ncccc4c3)cc2Cl)C1 ZINC000045228498 563125743 /nfs/dbraw/zinc/12/57/43/563125743.db2.gz JYPOPVDYXQMKTE-OAQYLSRUSA-N 0 3 437.971 5.640 1 0 IKAFHN O=C(CNCCNc1ccnc2cc(Cl)ccc21)N(c1ccccc1)c1ccccc1 ZINC000045253618 563126939 /nfs/dbraw/zinc/12/69/39/563126939.db2.gz SWGLORZHZJPCPC-UHFFFAOYSA-N 0 3 430.939 5.255 1 0 IKAFHN CCCCC[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C=C2C1=CCN(Cc2ccccc2)CC1 ZINC000045301776 563129296 /nfs/dbraw/zinc/12/92/96/563129296.db2.gz RVTTYHSALMSRNP-JOCHJYFZSA-N 0 3 445.647 7.463 1 0 IKAFHN CCc1ccc(CN2CCC(CN(C(=O)c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000045302295 563129519 /nfs/dbraw/zinc/12/95/19/563129519.db2.gz VLPSTRUFIWYOTC-UHFFFAOYSA-N 0 3 447.022 6.461 1 0 IKAFHN CC(C)c1ccc(CN2CC[C@@H](CNC(=O)c3cc(-c4ccccc4F)cs3)C2)cc1 ZINC000045322087 563130282 /nfs/dbraw/zinc/13/02/82/563130282.db2.gz KNYWTMDGRGSBNL-FQEVSTJZSA-N 0 3 436.596 5.930 1 0 IKAFHN COc1ccccc1-c1csc(C(=O)NC[C@H]2CCN(Cc3ccc(C(C)C)cc3)C2)c1 ZINC000045324036 563130743 /nfs/dbraw/zinc/13/07/43/563130743.db2.gz GACHOAGHMGEPQC-OAQYLSRUSA-N 0 3 448.632 5.799 1 0 IKAFHN COc1ccccc1-c1csc(C(=O)NC[C@@H]2CCN(Cc3ccc(C(C)C)cc3)C2)c1 ZINC000045324040 563130824 /nfs/dbraw/zinc/13/08/24/563130824.db2.gz GACHOAGHMGEPQC-NRFANRHFSA-N 0 3 448.632 5.799 1 0 IKAFHN COc1cccc(-c2csc(C(=O)NC[C@@H]3CCN(Cc4ccc(C(C)C)cc4)C3)c2)c1 ZINC000045335393 563131287 /nfs/dbraw/zinc/13/12/87/563131287.db2.gz PVIYXJOTFNUKQR-NRFANRHFSA-N 0 3 448.632 5.799 1 0 IKAFHN OC1(c2ccc(Cl)cc2)CCN(CCO[C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000045357879 563132838 /nfs/dbraw/zinc/13/28/38/563132838.db2.gz WZEIKAWGDAAIIE-VWLOTQADSA-N 0 3 439.958 5.569 1 0 IKAFHN CC1(C)C[C@H](N)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1 ZINC000049035100 563136194 /nfs/dbraw/zinc/13/61/94/563136194.db2.gz JQSKLRZZZNTNOZ-IBGZPJMESA-N 0 3 433.766 6.937 1 0 IKAFHN CCCN(Cc1c(C(F)(F)F)nc2n1CCCN2c1c(C)cc(C)cc1C)CC1CCC1 ZINC000049125032 563138861 /nfs/dbraw/zinc/13/88/61/563138861.db2.gz JIKDNVBBGMVNNF-UHFFFAOYSA-N 0 3 448.577 6.381 1 0 IKAFHN N[C@H](Cc1ccc(Cl)cc1)c1csc(Nc2ccc(C(=O)c3ccccc3)cc2)n1 ZINC000061897077 563147504 /nfs/dbraw/zinc/14/75/04/563147504.db2.gz WBFSORXEGIHBOK-OAQYLSRUSA-N 0 3 433.964 6.014 3 0 IKAFHN CC(=O)c1cc2cccc(O[C@]3(C)CCN(Cc4ccc(-c5ccccn5)cc4)C3)c2o1 ZINC000061907733 563148888 /nfs/dbraw/zinc/14/88/88/563148888.db2.gz BNZVULXUJTVIDV-HHHXNRCGSA-N 0 3 426.516 5.741 3 0 IKAFHN C[C@@]1(Oc2cnc(Cl)c3ccccc23)CCN(Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000061928289 563150324 /nfs/dbraw/zinc/15/03/24/563150324.db2.gz WVQCRCMIKQLUBN-OAQYLSRUSA-N 0 3 436.861 5.830 3 0 IKAFHN COc1ccccc1-c1sc2ccccc2c1-c1ccc(OCCN2CCCCC2)cc1 ZINC000061944891 563151116 /nfs/dbraw/zinc/15/11/16/563151116.db2.gz YMSXBMKZFMDQFV-UHFFFAOYSA-N 0 3 443.612 7.109 3 0 IKAFHN COc1cccc(-c2sc3ccccc3c2-c2ccc(OCCN3CCCCC3)cc2)c1 ZINC000061947948 563151562 /nfs/dbraw/zinc/15/15/62/563151562.db2.gz IMTMODWBEJMQJA-UHFFFAOYSA-N 0 3 443.612 7.109 3 0 IKAFHN COc1cccc(CN2CCC(CCC(=O)c3cc4ccn5c4c(c3)CCC5=O)CC2)c1 ZINC000066102370 563158477 /nfs/dbraw/zinc/15/84/77/563158477.db2.gz GJEHCITUSPVLLH-UHFFFAOYSA-N 0 3 430.548 5.111 1 0 IKAFHN CC1=Nc2ccc(-c3cc4ccccc4o3)cc2[C@H](c2ccccc2)N1CCN1CCCCC1 ZINC000072122957 563163970 /nfs/dbraw/zinc/16/39/70/563163970.db2.gz QPUPHEFBIFHKJD-PMERELPUSA-N 0 3 449.598 7.041 1 0 IKAFHN CC1=Nc2ccc(-c3cc4ccccc4o3)cc2[C@@H](c2ccccc2)N1CCN1CCCCC1 ZINC000072122958 563164020 /nfs/dbraw/zinc/16/40/20/563164020.db2.gz QPUPHEFBIFHKJD-SSEXGKCCSA-N 0 3 449.598 7.041 1 0 IKAFHN CC[C@@]1(CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc2NC1=O ZINC000072140990 563164553 /nfs/dbraw/zinc/16/45/53/563164553.db2.gz XYUHOLLIDTYVJU-XMMPIXPASA-N 0 3 445.529 5.298 1 0 IKAFHN Cc1cc(N2CCN(Cc3coc(-c4cccc5ccccc54)n3)CC2)c2ccccc2n1 ZINC000072182358 563167416 /nfs/dbraw/zinc/16/74/16/563167416.db2.gz VUHQCNNPPPLROU-UHFFFAOYSA-N 0 3 434.543 5.674 1 0 IKAFHN CCN(Cc1coc(-c2ccc(OC(F)(F)F)cc2)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000072182406 563167424 /nfs/dbraw/zinc/16/74/24/563167424.db2.gz FJBCUMMNSGNIKH-OAQYLSRUSA-N 0 3 445.485 5.337 1 0 IKAFHN COc1ccc(CN2CCC(N[C@@H](c3cccnc3)c3ccc(Cl)cc3F)CC2)cc1 ZINC000072184446 563167776 /nfs/dbraw/zinc/16/77/76/563167776.db2.gz HCMGEKZAVMNLPW-VWLOTQADSA-N 0 3 439.962 5.226 1 0 IKAFHN O=C(c1ccccc1)N1CCC(N[C@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072186444 563168305 /nfs/dbraw/zinc/16/83/05/563168305.db2.gz ALAOOQMIFYSRCU-HSZRJFAPSA-N 0 3 439.481 5.084 1 0 IKAFHN O=C(Nc1ccc2cc(CN3CCCC3)cnc2c1)N1CCC(c2ccc(F)cc2)CC1 ZINC000084758905 563179773 /nfs/dbraw/zinc/17/97/73/563179773.db2.gz BNKDXJJXXMAIBU-UHFFFAOYSA-N 0 3 432.543 5.381 1 0 IKAFHN COc1ccc(-c2cc3c(s2)C[C@H](OC)OC32CCN(Cc3ccccc3)CC2)cc1 ZINC000095554891 563181236 /nfs/dbraw/zinc/18/12/36/563181236.db2.gz VLCLAHWOFFEFJM-RUZDIDTESA-N 0 3 435.589 5.460 1 0 IKAFHN CN1CCN(CCCc2ccc([C@@H](c3ccccc3)C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000095562200 563182574 /nfs/dbraw/zinc/18/25/74/563182574.db2.gz DOUDDYLEUDBZLJ-QTOQHBCNSA-N 0 3 442.691 6.215 1 0 IKAFHN CCN1CCN(Cc2ccc([C@H](c3ccccc3)C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000095562713 563182752 /nfs/dbraw/zinc/18/27/52/563182752.db2.gz GOBMXPRHAMNLFG-CTSDKZEDSA-N 0 3 428.664 6.172 1 0 IKAFHN CN1CCC(COCc2cc(C(F)(F)F)cc(Cl)n2)(c2ccc(Cl)cc2)CC1 ZINC000095586388 563189204 /nfs/dbraw/zinc/18/92/04/563189204.db2.gz BVALXLKHALQQPF-UHFFFAOYSA-N 0 3 433.301 5.587 1 0 IKAFHN COc1ccc(CN[C@H]2CC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@]3(C)[C@H]2O)c(OC)c1 ZINC000095589107 563189552 /nfs/dbraw/zinc/18/95/52/563189552.db2.gz XWFRCFVAMFEVAA-QANJXPMWSA-N 0 3 445.688 6.202 1 0 IKAFHN CC(C)Cc1cc(C(F)(F)F)cc(COCC2(c3ccc(F)cc3)CCN(C)CC2)n1 ZINC000095591776 563190351 /nfs/dbraw/zinc/19/03/51/563190351.db2.gz BNDYWUDBYSQRPQ-UHFFFAOYSA-N 0 3 438.509 5.618 1 0 IKAFHN C[C@H]1C[C@H]1c1cc(C(F)(F)F)cc(COCC2(c3ccc(F)cc3)CCN(C)CC2)n1 ZINC000095591626 563190360 /nfs/dbraw/zinc/19/03/60/563190360.db2.gz XYODCNMGJSSDON-HRAATJIYSA-N 0 3 436.493 5.543 1 0 IKAFHN C[C@H]1C[C@@H]1c1cc(C(F)(F)F)cc(COCC2(c3ccc(F)cc3)CCN(C)CC2)n1 ZINC000095591624 563190369 /nfs/dbraw/zinc/19/03/69/563190369.db2.gz XYODCNMGJSSDON-KKSFZXQISA-N 0 3 436.493 5.543 1 0 IKAFHN O=C1OC2(CCN(Cc3ccccc3)CC2)c2c1csc2-c1cccc2ccccc21 ZINC000095602827 563193292 /nfs/dbraw/zinc/19/32/92/563193292.db2.gz IDDBHBXBEFYPME-UHFFFAOYSA-N 0 3 425.553 6.230 1 0 IKAFHN CCCN(CCC)Cc1c(C(=O)c2ccc(Cl)cc2)c(N)sc1-c1ccccc1 ZINC000096913298 563197818 /nfs/dbraw/zinc/19/78/18/563197818.db2.gz XSXKQCLRLYNFPW-UHFFFAOYSA-N 0 3 427.013 6.504 1 0 IKAFHN Cc1cc(=O)oc2cc(OCCCN3CCC(c4noc5cc(F)ccc54)CC3)ccc12 ZINC000096929479 563198576 /nfs/dbraw/zinc/19/85/76/563198576.db2.gz BIMOEXMWKRFASR-UHFFFAOYSA-N 0 3 436.483 5.030 1 0 IKAFHN CN(C)C/C=C/C(=O)Nc1cccc(Nc2ncc(Cl)c(-c3c[nH]c4ccccc43)n2)c1 ZINC000096935125 563199489 /nfs/dbraw/zinc/19/94/89/563199489.db2.gz SODAJWTVOKNCDI-IZZDOVSWSA-N 0 3 446.942 5.078 1 0 IKAFHN CN1CCN(c2cc(-c3ccc4ccccc4c3)nc3ccc(-c4ccccc4)cc32)CC1 ZINC000028641848 536418237 /nfs/dbraw/zinc/41/82/37/536418237.db2.gz AJVJAFXLNRFLJI-UHFFFAOYSA-N 0 3 429.567 6.474 1 0 IKAFHN COc1cc2cc(c1OC)Oc1ccc(cc1)CCC(=O)O[C@H]1C[C@H]3CCCCN3[C@H]2C1 ZINC000033832710 560088209 /nfs/dbraw/zinc/08/82/09/560088209.db2.gz RYPKMVJQIHUNPG-HJNYFJLDSA-N 0 3 437.536 5.044 1 0 biogenic,in-vitro IKAFHN COCc1cccc(CN2CCC(N3C(=O)Nc4ccccc4[C@@H]3c3ccccc3)CC2)c1 ZINC000000588590 562918252 /nfs/dbraw/zinc/91/82/52/562918252.db2.gz QVXJYKZYIAVFLK-MHZLTWQESA-N 0 3 441.575 5.435 1 0 IKAFHN COc1ccccc1[C@@H](O)/C=C1\C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 ZINC000000598534 562918544 /nfs/dbraw/zinc/91/85/44/562918544.db2.gz ACNNRRQKRUXREB-BNPGWQDGSA-N 0 3 425.572 5.581 1 0 IKAFHN O[C@@H](c1cccnc1)C1CCN(C[C@@]23C[C@@H](c4ccccc42)c2ccc(Cl)cc23)CC1 ZINC000000598495 562918552 /nfs/dbraw/zinc/91/85/52/562918552.db2.gz FAIDZDOWNFSXLC-RNJDCESWSA-N 0 3 430.979 5.316 1 0 IKAFHN CCC(=O)N(c1ccccc1F)C1(c2ccccn2)CCN(CCc2ccccc2)CC1 ZINC000000603296 562918688 /nfs/dbraw/zinc/91/86/88/562918688.db2.gz SLPKWZPZSWFZQV-UHFFFAOYSA-N 0 3 431.555 5.198 1 0 IKAFHN O=C1Nc2ccc(Cl)c3c2[C@]1(CCCCN1CC=C(c2ccc(F)cc2)CC1)CCC3 ZINC000001910864 562925407 /nfs/dbraw/zinc/92/54/07/562925407.db2.gz UWPMACBSCARCRJ-SANMLTNESA-N 0 3 438.974 5.965 1 0 IKAFHN CC1(C)Cc2ccccc2[C@H](CN2CCCC2)N1C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000003787046 562937907 /nfs/dbraw/zinc/93/79/07/562937907.db2.gz JGXZBLFYAWGGPA-QFIPXVFZSA-N 0 3 431.407 5.536 1 0 IKAFHN C[N@@H+]1CCCC[C@H]1CCc1cc(C(=O)Nc2ccc(-c3ccc(O)cc3)cc2)ccc1[O-] ZINC000003809273 562938354 /nfs/dbraw/zinc/93/83/54/562938354.db2.gz BPSJUELGMDRIEX-DEOSSOPVSA-N 0 3 430.548 5.434 1 0 IKAFHN C[N@H+]1CCCC[C@H]1CCc1cc(C(=O)Nc2ccc(-c3ccc(O)cc3)cc2)ccc1[O-] ZINC000003809273 562938356 /nfs/dbraw/zinc/93/83/56/562938356.db2.gz BPSJUELGMDRIEX-DEOSSOPVSA-N 0 3 430.548 5.434 1 0 IKAFHN CN(C)CCOc1ccc([C@H]2Oc3cc(O)ccc3-c3sc4cc(O)ccc4c32)cc1 ZINC000003951502 562939856 /nfs/dbraw/zinc/93/98/56/562939856.db2.gz BTOJISAUJPXHPN-XMMPIXPASA-N 0 3 433.529 5.402 1 0 IKAFHN COc1ccc(N2Cc3sc4ccccc4c3C2=O)cc1OCCN1CCC(C)CC1 ZINC000003987586 562940433 /nfs/dbraw/zinc/94/04/33/562940433.db2.gz PMLOBLMWKWWJRA-UHFFFAOYSA-N 0 3 436.577 5.181 1 0 IKAFHN O=C(NCCCCN1CCN2c3ccccc3CC[C@@H]2C1)c1ccc(-c2ccccc2)cc1 ZINC000003988542 562940457 /nfs/dbraw/zinc/94/04/57/562940457.db2.gz VPTSFCYJNNWWFV-HHHXNRCGSA-N 0 3 439.603 5.001 1 0 IKAFHN Oc1ccc2c(c1)CC[C@H](c1ccccc1)N2Cc1ccc(OCCN2CCCCC2)cc1 ZINC000003988483 562940499 /nfs/dbraw/zinc/94/04/99/562940499.db2.gz OQJYJENHHOZHPV-MUUNZHRXSA-N 0 3 442.603 5.951 1 0 IKAFHN CCCn1c(-c2ccc(F)cc2)nc2c1nc(C)nc2N[C@H]1CCN(Cc2ccccc2)C1 ZINC000008017230 562948858 /nfs/dbraw/zinc/94/88/58/562948858.db2.gz NVWOKJJKHBGSCM-QFIPXVFZSA-N 0 3 444.558 5.037 1 0 IKAFHN CCc1ccc(CN2CCC(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)o1 ZINC000011663303 562978986 /nfs/dbraw/zinc/97/89/86/562978986.db2.gz ASGLSISOVKAMLK-UHFFFAOYSA-N 0 3 428.536 5.236 1 0 IKAFHN COc1cc2[nH]c(-c3ccc4c(c3)[C@H](N3CCCC3)CC4)cc(=O)c2cc1-c1cnco1 ZINC000012354293 562981253 /nfs/dbraw/zinc/98/12/53/562981253.db2.gz YVHDANBJKFBIKP-HSZRJFAPSA-N 0 3 427.504 5.354 1 0 IKAFHN O=C1CCN(CCc2ccccc2)CCN1[C@H](CSc1ccccc1)c1ccccc1 ZINC000012474423 562982228 /nfs/dbraw/zinc/98/22/28/562982228.db2.gz OVPXVDTVZJWVGC-AREMUKBSSA-N 0 3 430.617 5.297 3 0 IKAFHN COc1ccc(CSc2sc(C(=N)N)cc2-c2nc(-c3ccccc3)cs2)cc1 ZINC000013437905 562986079 /nfs/dbraw/zinc/98/60/79/562986079.db2.gz UZRPEXUMIZAQBZ-UHFFFAOYSA-N 0 3 437.615 6.124 1 0 IKAFHN Cc1c(COc2ccc(Cl)cc2)oc2cccc(OCCCNCc3cccnc3)c12 ZINC000013438513 562986149 /nfs/dbraw/zinc/98/61/49/562986149.db2.gz YXBVEDYIACFQGK-UHFFFAOYSA-N 0 3 436.939 5.927 1 0 IKAFHN CSc1ccc([C@H](CN2CCCC2)N(C)C(=O)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000013446447 562986953 /nfs/dbraw/zinc/98/69/53/562986953.db2.gz BHKMFILYWFYRAV-NRFANRHFSA-N 0 3 437.436 5.553 1 0 IKAFHN Nc1nc2cc3c(cc2[nH]1)CCC[C@H]3Sc1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000013451113 562987297 /nfs/dbraw/zinc/98/72/97/562987297.db2.gz MMVXYUMFIOTUHZ-JOCHJYFZSA-N 0 3 435.574 5.148 1 0 IKAFHN Nc1nc2cc3c(cc2[nH]1)[C@H](Sc1ccc(S(=O)(=O)c2ccccc2)cc1)CCC3 ZINC000013451113 562987298 /nfs/dbraw/zinc/98/72/98/562987298.db2.gz MMVXYUMFIOTUHZ-JOCHJYFZSA-N 0 3 435.574 5.148 1 0 IKAFHN COc1ccc([C@@H]2Cc3c(cccc3C(F)(F)F)N(CCN3CCCC3)C(=O)[C@@H]2C)cc1 ZINC000013450826 562987322 /nfs/dbraw/zinc/98/73/22/562987322.db2.gz ITVZJUUDQNPSFA-YLJYHZDGSA-N 0 3 446.513 5.119 1 0 IKAFHN CN(C)Cc1ccc(CSCc2ccccc2CSCc2ccc(CN(C)C)o2)o1 ZINC000013452600 562987545 /nfs/dbraw/zinc/98/75/45/562987545.db2.gz NSDLLBNDBVHZTN-UHFFFAOYSA-N 0 3 444.666 5.863 1 0 IKAFHN O=C(Nc1ccc2n[nH]cc2c1)Nc1cccc(CN2CCC(Cc3ccccc3)CC2)c1 ZINC000013475773 562988974 /nfs/dbraw/zinc/98/89/74/562988974.db2.gz VHWQFOSMMBMAQY-UHFFFAOYSA-N 0 3 439.563 5.662 1 0 IKAFHN O=C(Nc1ccccc1)Nc1ccccc1[C@@H](O)CN1CCC(Cc2ccccc2)CC1 ZINC000013475775 562989010 /nfs/dbraw/zinc/98/90/10/562989010.db2.gz MDINXBRCQYXZRD-SANMLTNESA-N 0 3 429.564 5.319 1 0 IKAFHN Nc1cc(Cl)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3 ZINC000013488000 562989596 /nfs/dbraw/zinc/98/95/96/562989596.db2.gz NYDZDBFAMUDWJX-FPOVZHCZSA-N 0 3 442.028 5.059 1 0 IKAFHN O[C@H](COc1cccc2[nH]ccc21)CN1CCC(c2cc3c(cccc3Cl)s2)CC1 ZINC000013490091 562990185 /nfs/dbraw/zinc/99/01/85/562990185.db2.gz FUQRJICYKKZXOM-KRWDZBQOSA-N 0 3 440.996 5.655 1 0 IKAFHN Cc1cc2c(cccc2OC[C@@H](O)CN2CCC(c3cc4c(cc(C)cc4C)s3)CC2)[nH]1 ZINC000013490098 562990213 /nfs/dbraw/zinc/99/02/13/562990213.db2.gz UPZUAHAQWUZFHX-NRFANRHFSA-N 0 3 448.632 5.927 1 0 IKAFHN Cc1ccc2c(c1)C(N1CCN(c3cccc(C(F)(F)F)c3)CC1)=Nc1cccnc1N2 ZINC000013492075 562990678 /nfs/dbraw/zinc/99/06/78/562990678.db2.gz PNMWNDDEPPDBHH-UHFFFAOYSA-N 0 3 437.469 5.366 1 0 IKAFHN Fc1ccc(CN2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000013494208 562990967 /nfs/dbraw/zinc/99/09/67/562990967.db2.gz JZJFVHHIWMRMJW-UHFFFAOYSA-N 0 3 439.521 6.512 1 0 IKAFHN COc1ccccc1N1CCN(CCCCCCN2c3cccc4cccc(c34)C2=O)CC1 ZINC000013531188 562992021 /nfs/dbraw/zinc/99/20/21/562992021.db2.gz HVGWHFXADVNOLS-UHFFFAOYSA-N 0 3 443.591 5.191 1 0 IKAFHN Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H](N(C)C)c3sccc32)cc1 ZINC000013532179 562992197 /nfs/dbraw/zinc/99/21/97/562992197.db2.gz OEFAJMDMCVQKRS-OAQYLSRUSA-N 0 3 433.577 5.352 1 0 IKAFHN C[C@H]1C[C@H](c2cc3c(cccc3F)s2)CCN1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000013535691 562992448 /nfs/dbraw/zinc/99/24/48/562992448.db2.gz KEZUWXKXXJLJQP-KSZLIROESA-N 0 3 438.568 5.530 1 0 IKAFHN C[C@H]1C[C@H](c2cc3cccc(F)c3s2)CCN1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000013535698 562992479 /nfs/dbraw/zinc/99/24/79/562992479.db2.gz YBWIVXPYNCSJKS-SCTDSRPQSA-N 0 3 438.568 5.530 1 0 IKAFHN Oc1ccc2c(c1)S[C@@H](c1ccccc1)[C@@H](c1ccc(OCCN3CCCCC3)cc1)O2 ZINC000013560488 562994198 /nfs/dbraw/zinc/99/41/98/562994198.db2.gz WGDOPZQMRJSAPD-SXOMAYOGSA-N 0 3 447.600 6.224 1 0 IKAFHN Oc1ccc([C@@H]2Sc3ccccc3O[C@@H]2c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000013560489 562994297 /nfs/dbraw/zinc/99/42/97/562994297.db2.gz CTRXRRTXKQGMKA-SXOMAYOGSA-N 0 3 447.600 6.224 1 0 IKAFHN Cc1cc2cc(Nc3ccnc4cc(-c5ccc(CNCCO)cc5)sc43)ccc2[nH]1 ZINC000013588197 562995846 /nfs/dbraw/zinc/99/58/46/562995846.db2.gz NBYJQDZZRITHTA-UHFFFAOYSA-N 0 3 428.561 5.579 1 0 IKAFHN CC(C)(CO)NCc1ccc(-c2cc3ncnc(Nc4ccc5[nH]ccc5c4)c3s2)cc1 ZINC000013588176 562995861 /nfs/dbraw/zinc/99/58/61/562995861.db2.gz KJTNEZSZMBPREH-UHFFFAOYSA-N 0 3 443.576 5.444 1 0 IKAFHN O=C1c2ccc(OCc3cccnc3)cc2CC[C@@H]1CCN1CCC(c2ccccc2)CC1 ZINC000013588386 562996042 /nfs/dbraw/zinc/99/60/42/562996042.db2.gz ZIECFGISGYNQRZ-RUZDIDTESA-N 0 3 440.587 5.675 1 0 IKAFHN CN1CCCC[C@H]1Cn1cc(C(=O)c2ccc(CCO)c3ccccc23)c2ccccc21 ZINC000013672818 563000084 /nfs/dbraw/zinc/00/00/84/563000084.db2.gz YSNVWEVEYXZGIZ-NRFANRHFSA-N 0 3 426.560 5.045 1 0 IKAFHN O=C(NCCCOc1cccc(CN2CCCCC2)c1)Nc1ccc(C(F)(F)F)cc1 ZINC000013725235 563001335 /nfs/dbraw/zinc/00/13/35/563001335.db2.gz VAHSNCINYMWAGT-UHFFFAOYSA-N 0 3 435.490 5.282 1 0 IKAFHN COc1ccc(CN[C@H](CNC(=O)Nc2c(C(C)C)cccc2C(C)C)CC(C)C)cc1 ZINC000013737300 563002518 /nfs/dbraw/zinc/00/25/18/563002518.db2.gz DKYVYDRLVFSEHS-QFIPXVFZSA-N 0 3 439.644 6.268 1 0 IKAFHN O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CCN2Cc1ccccc1 ZINC000013737836 563002654 /nfs/dbraw/zinc/00/26/54/563002654.db2.gz YCTWZDMIQMYEFZ-UHFFFAOYSA-N 0 3 438.615 6.124 1 0 IKAFHN CCN(CCCCC[C@@H]1Cc2cc(OC)c(OC)cc2C1=O)Cc1ccccc1OC ZINC000013738612 563002853 /nfs/dbraw/zinc/00/28/53/563002853.db2.gz PNORNHQDZBPDRE-LJQANCHMSA-N 0 3 425.569 5.150 1 0 IKAFHN COc1cc(C(C)=O)ccc1SCCCN1CCC(c2noc3cc(F)ccc32)CC1 ZINC000013740880 563003262 /nfs/dbraw/zinc/00/32/62/563003262.db2.gz LMFSAUMXPCITAG-UHFFFAOYSA-N 0 3 442.556 5.540 1 0 IKAFHN Fc1ccc(-n2cc(CCCCN3CCN(c4ccc(F)cc4)CC3)c3ccccc32)cc1 ZINC000013741508 563003323 /nfs/dbraw/zinc/00/33/23/563003323.db2.gz NSJANYUTRNGXRW-UHFFFAOYSA-N 0 3 445.557 6.054 1 0 IKAFHN Cc1ccc(SC[C@H](CN(C)C)C(=O)c2ccc(OCc3ccccc3)cc2)cc1C ZINC000013741935 563003325 /nfs/dbraw/zinc/00/33/25/563003325.db2.gz JAWVVQKVYZUJTE-DEOSSOPVSA-N 0 3 433.617 6.035 1 0 IKAFHN Clc1ccc(OCCc2ccccc2)c(CCCN2CCN(c3ccccc3)CC2)c1 ZINC000013795803 563007296 /nfs/dbraw/zinc/00/72/96/563007296.db2.gz YWMWWYCRLCCWMQ-UHFFFAOYSA-N 0 3 435.011 5.716 1 0 IKAFHN c1nc(CN2CCN(Cc3cccc4ccccc43)Cc3cc(-c4ccccc4)ccc32)c[nH]1 ZINC000013803096 563008097 /nfs/dbraw/zinc/00/80/97/563008097.db2.gz FQYKBSZFZYBVHE-UHFFFAOYSA-N 0 3 444.582 6.252 1 0 IKAFHN O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2[nH]c3ccccc3c2[C@@H]1CN1CCCC1 ZINC000013823975 563010337 /nfs/dbraw/zinc/01/03/37/563010337.db2.gz SRBDHMOWSKFOIL-QFIPXVFZSA-N 0 3 442.390 5.239 1 0 IKAFHN O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2c3ccccc3[nH]c2[C@@H]1CN1CCCC1 ZINC000013823979 563010346 /nfs/dbraw/zinc/01/03/46/563010346.db2.gz SNEYMUAQCKBVHQ-QFIPXVFZSA-N 0 3 442.390 5.239 1 0 IKAFHN C/C=C/CN1CC[C@@H](N(c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)[C@@H](C)C1 ZINC000013862300 563012868 /nfs/dbraw/zinc/01/28/68/563012868.db2.gz VRZFYAJIAPJACS-RUQZGRDBSA-N 0 3 449.639 5.602 1 0 IKAFHN O=C(c1ccc(CNc2c3c(nc4cccc(Cl)c42)CCCCC3)s1)C(F)(F)F ZINC000013864107 563013450 /nfs/dbraw/zinc/01/34/50/563013450.db2.gz QNPYGSSPRXBFQL-UHFFFAOYSA-N 0 3 438.902 6.576 1 0 IKAFHN COc1ccccc1[C@H](O)/C=C1\C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 ZINC000013901717 563013826 /nfs/dbraw/zinc/01/38/26/563013826.db2.gz ACNNRRQKRUXREB-FWUDABMPSA-N 0 3 425.572 5.581 1 0 IKAFHN CCc1ccc([N-]c2n[n+](-c3ccccc3)c(-c3cccc(Cl)c3Cl)s2)cc1 ZINC000015936256 563018737 /nfs/dbraw/zinc/01/87/37/563018737.db2.gz DJTNTBUVULZIIF-UHFFFAOYSA-N 0 3 427.380 6.700 3 0 IKAFHN C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@H](C)N1CCCc1ccccc1 ZINC000022930208 563026240 /nfs/dbraw/zinc/02/62/40/563026240.db2.gz KRUBQUVNIYCARV-MKPDMIMOSA-N 0 3 441.663 6.242 1 0 IKAFHN c1ccc(C(OCCN2CCN(Cc3cccc4ccccc43)CC2)c2ccccc2)cc1 ZINC000022938673 563026528 /nfs/dbraw/zinc/02/65/28/563026528.db2.gz RUFMMZIUYCHXNZ-UHFFFAOYSA-N 0 3 436.599 5.764 1 0 IKAFHN C(=C/c1ccccc1)\CN1CCCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000022938498 563026554 /nfs/dbraw/zinc/02/65/54/563026554.db2.gz ZKPGBGRZLGOWBB-GXDHUFHOSA-N 0 3 426.604 5.514 1 0 IKAFHN COc1cccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)c1 ZINC000022939450 563026791 /nfs/dbraw/zinc/02/67/91/563026791.db2.gz KTYYNPXOHIIOHX-UHFFFAOYSA-N 0 3 444.619 5.052 1 0 IKAFHN N[C@H](c1cccc(Cl)c1)[C@@H]1CCN1C(c1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000022941579 563026972 /nfs/dbraw/zinc/02/69/72/563026972.db2.gz SZJFJGZFMAHLID-FCHUYYIVSA-N 0 3 431.794 6.511 1 0 IKAFHN Cn1c(SCc2ccccc2)nnc1[C@H]1CCCN(Cc2cccc3ncccc23)C1 ZINC000023337988 563027076 /nfs/dbraw/zinc/02/70/76/563027076.db2.gz FLYQQUHVJKFHFP-NRFANRHFSA-N 0 3 429.593 5.035 1 0 IKAFHN Cn1c(SCc2ccccc2)nnc1[C@@H]1CCCN(Cc2cccc3ncccc23)C1 ZINC000023337986 563027113 /nfs/dbraw/zinc/02/71/13/563027113.db2.gz FLYQQUHVJKFHFP-OAQYLSRUSA-N 0 3 429.593 5.035 1 0 IKAFHN COc1ccc(/C=C/CN2CCC(COC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000025999918 563028172 /nfs/dbraw/zinc/02/81/72/563028172.db2.gz HHLXYKZTGZDHLX-CMDGGOBGSA-N 0 3 427.588 6.227 1 0 IKAFHN O[C@H](CCCN1CC[C@@H]2[C@@H](C1)c1ccccc1N2c1ccc(F)cc1)c1ccc(F)cc1 ZINC000026181449 563029677 /nfs/dbraw/zinc/02/96/77/563029677.db2.gz NQGONAKHHVLXTL-WYMJOSIYSA-N 0 3 434.530 5.788 1 0 IKAFHN O[C@@H](CCCN1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccccc1 ZINC000026188775 563029870 /nfs/dbraw/zinc/02/98/70/563029870.db2.gz KNNOMOYAJVUIED-OIKPOIBNSA-N 0 3 434.530 5.788 1 0 IKAFHN CCNC(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)N3Cc2[nH]cnc2C)cc1 ZINC000026254343 563030191 /nfs/dbraw/zinc/03/01/91/563030191.db2.gz YNBLCYZCPQPQHP-PLQXJYEYSA-N 0 3 440.591 5.097 1 0 IKAFHN Brc1ccc(CCN(Cc2cnc[nH]2)Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000026273386 563030487 /nfs/dbraw/zinc/03/04/87/563030487.db2.gz HFLQDXOFXFPVGQ-UHFFFAOYSA-N 0 3 446.392 6.084 1 0 IKAFHN CC(C)(C)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCCCC2)cc1 ZINC000026573497 563033453 /nfs/dbraw/zinc/03/34/53/563033453.db2.gz MCRPJSKNOHRSAO-ZEQRLZLVSA-N 0 3 427.610 5.897 1 0 IKAFHN CC(C)C[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCCCC2)cc1 ZINC000026573929 563033456 /nfs/dbraw/zinc/03/34/56/563033456.db2.gz LFBWFMJHBAJPDC-RPBOFIJWSA-N 0 3 427.610 5.897 1 0 IKAFHN CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CCC(N)=O)CC1 ZINC000026665336 563035198 /nfs/dbraw/zinc/03/51/98/563035198.db2.gz ZZHNOVUUFUFNLN-MSOLQXFVSA-N 0 3 428.617 5.218 1 0 IKAFHN CCc1cccc(N(C)C(=N)Nc2cc(CC)cc(C(F)(F)F)c2Br)c1 ZINC000027426363 563042229 /nfs/dbraw/zinc/04/22/29/563042229.db2.gz PPAZAQPJUYPOBT-UHFFFAOYSA-N 0 3 428.296 6.076 1 0 IKAFHN CCc1cccc(N(C)C(=N)Nc2cc(C(F)(F)F)cc(CC)c2Br)c1 ZINC000027426178 563042233 /nfs/dbraw/zinc/04/22/33/563042233.db2.gz IJMSFGDWBWPDGL-UHFFFAOYSA-N 0 3 428.296 6.076 1 0 IKAFHN FC(F)(F)c1cc(CO[C@H]2C3CCN(CC3)[C@@H]2Cc2ccccc2)cc(C(F)(F)F)c1 ZINC000027546608 563043471 /nfs/dbraw/zinc/04/34/71/563043471.db2.gz JOTMNMNWQYWMOE-RTWAWAEBSA-N 0 3 443.431 5.946 1 0 IKAFHN COc1ccc2[nH]cc(C3=CCN(C[C@@H]4CCc5c(c6ccccc6n5C)C4=O)CC3)c2c1 ZINC000027738796 563046454 /nfs/dbraw/zinc/04/64/54/563046454.db2.gz YIXGURIZOKSKEU-IBGZPJMESA-N 0 3 439.559 5.203 1 0 IKAFHN CCCN(C)C[C@H](O)COc1ccc2c(c1)oc(-c1ccccc1)c(-c1ccccc1)c2=O ZINC000027872751 563047642 /nfs/dbraw/zinc/04/76/42/563047642.db2.gz VQALLFXHRNWESB-QFIPXVFZSA-N 0 3 443.543 5.209 1 0 IKAFHN CCCN(C)C[C@@H](O)COc1ccc2c(c1)oc(-c1ccccc1)c(-c1ccccc1)c2=O ZINC000027872747 563047682 /nfs/dbraw/zinc/04/76/82/563047682.db2.gz VQALLFXHRNWESB-JOCHJYFZSA-N 0 3 443.543 5.209 1 0 IKAFHN O=C(/C=C/c1ccccc1)N(c1ccc2c(c1)NCC2)C1CCN(Cc2ccccc2)CC1 ZINC000028243298 563052077 /nfs/dbraw/zinc/05/20/77/563052077.db2.gz PQPVEPZKZDMPKI-SDNWHVSQSA-N 0 3 437.587 5.366 1 0 IKAFHN COc1ccc(CN[C@H]2CCC[C@@H]2C(=O)NCc2ccc(-c3cccs3)s2)cc1 ZINC000028348897 563053135 /nfs/dbraw/zinc/05/31/35/563053135.db2.gz KPJONGJADDROGB-PMACEKPBSA-N 0 3 426.607 5.060 1 0 IKAFHN CCNC(=O)c1ccc(C(c2cccc(N)c2)=C2C[C@H]3CC[C@@H](C2)N3Cc2ccoc2)cc1 ZINC000028392162 563054462 /nfs/dbraw/zinc/05/44/62/563054462.db2.gz CRUVNMBAKCMMJA-WMPKNSHKSA-N 0 3 441.575 5.240 1 0 IKAFHN O=C1[C@@H](c2ccc(C(F)(F)F)cc2)CC=CCN1[C@@H](CN1CCCC1)c1ccccc1 ZINC000028455815 563054678 /nfs/dbraw/zinc/05/46/78/563054678.db2.gz ASGNSBZVWDMQMJ-PKTZIBPZSA-N 0 3 428.498 5.415 1 0 IKAFHN CCNC(=O)c1ccc(C(c2ccccn2)=C2C[C@H]3CC[C@@H](C2)N3Cc2cccs2)cc1 ZINC000028456595 563054798 /nfs/dbraw/zinc/05/47/98/563054798.db2.gz NSJYFQMIGHGVQS-ZRZAMGCNSA-N 0 3 443.616 5.522 1 0 IKAFHN CCOc1cccc(CN2CCC(N3C(=O)Nc4ccccc4[C@H]3c3ccccc3)CC2)c1 ZINC000028568210 563058473 /nfs/dbraw/zinc/05/84/73/563058473.db2.gz MZZTVVUINPPPAJ-HHHXNRCGSA-N 0 3 441.575 5.687 1 0 IKAFHN CCOc1cccc(CN2CCC(N3C(=O)Nc4ccccc4[C@@H]3c3ccccc3)CC2)c1 ZINC000028568209 563058475 /nfs/dbraw/zinc/05/84/75/563058475.db2.gz MZZTVVUINPPPAJ-MHZLTWQESA-N 0 3 441.575 5.687 1 0 IKAFHN CCN1CCC(Oc2cc(OC)cc3ncnc(Nc4ccc(F)c(Cl)c4)c32)CC1 ZINC000028572247 563059579 /nfs/dbraw/zinc/05/95/79/563059579.db2.gz YQVIWENUKGWMED-UHFFFAOYSA-N 0 3 430.911 5.038 1 0 IKAFHN CC1(C)[C@@H]2C[C@H]1C(CN1CCC(NC(=O)Nc3ccc(-c4ccccc4)s3)CC1)=CC2 ZINC000028708683 563062376 /nfs/dbraw/zinc/06/23/76/563062376.db2.gz FUVPKSJTVPFJAB-UNMCSNQZSA-N 0 3 435.637 5.993 1 0 IKAFHN CC1(C)[C@@H]2C[C@H]1C(CN1CCC(NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)CC1)=CC2 ZINC000028708716 563062429 /nfs/dbraw/zinc/06/24/29/563062429.db2.gz ZOPCJOLPVIBKAS-YJBOKZPZSA-N 0 3 439.497 5.423 1 0 IKAFHN COc1cc2cc(-c3ccc(CN(C)Cc4cccc(C)c4)cc3)c(=O)oc2cc1OC ZINC000028710689 563062617 /nfs/dbraw/zinc/06/26/17/563062617.db2.gz BIGKNZBLJTVJKF-UHFFFAOYSA-N 0 3 429.516 5.418 1 0 IKAFHN CC(C)C1=NN(Cc2ccccc2)C(=O)N(c2ccc(NC(=N)N)cc2)c2ccccc21 ZINC000028711861 563062769 /nfs/dbraw/zinc/06/27/69/563062769.db2.gz FGUGDONOFCOWBJ-UHFFFAOYSA-N 0 3 426.524 5.126 1 0 IKAFHN CCCN[C@@H](c1ccc(Cl)cc1Cl)[C@@H](NCCC)c1ccc(Cl)cc1Cl ZINC000028764626 563063971 /nfs/dbraw/zinc/06/39/71/563063971.db2.gz FASYCQWBVNXZFV-PMACEKPBSA-N 0 3 434.238 7.082 1 0 IKAFHN COc1ccc(N2C(=O)c3c(cccc3Cl)[C@H]2C)cc1OCCN1CCC(C)CC1 ZINC000028819766 563065128 /nfs/dbraw/zinc/06/51/28/563065128.db2.gz MPRNTKMGUHUBMV-QGZVFWFLSA-N 0 3 428.960 5.181 1 0 IKAFHN COc1ccc2nccc([C@H]3CN(C4CCN(Cc5ccc(C)c(C)c5)CC4)C(=O)O3)c2c1 ZINC000028893724 563068601 /nfs/dbraw/zinc/06/86/01/563068601.db2.gz DBMAUWVASVSMOE-AREMUKBSSA-N 0 3 445.563 5.018 1 0 IKAFHN Clc1ccc([C@H](c2ccccc2)c2c(OCCN3CCCC3)ccc3ccccc32)cc1 ZINC000028955517 563070180 /nfs/dbraw/zinc/07/01/80/563070180.db2.gz RCLCLVJEZISQDV-NDEPHWFRSA-N 0 3 442.002 7.148 1 0 IKAFHN CCN(C(=O)Nc1cccc(C(F)(F)F)c1)C1CCN(CC2=CC[C@H]3C[C@@H]2C3(C)C)CC1 ZINC000028956934 563070449 /nfs/dbraw/zinc/07/04/49/563070449.db2.gz WVRMNWWVKDVTLX-AVRDEDQJSA-N 0 3 449.561 6.016 1 0 IKAFHN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2N[C@@H]1CCCc2ccccc21 ZINC000029042731 563072232 /nfs/dbraw/zinc/07/22/32/563072232.db2.gz RPWRCPNRVFIHNA-RPBOFIJWSA-N 0 3 440.631 6.927 1 0 IKAFHN CCc1cccc(CC)c1-c1cc(CC)c2c(n1)CCC[C@H]2N(CC)Cc1ccccc1 ZINC000029054357 563073291 /nfs/dbraw/zinc/07/32/91/563073291.db2.gz KPVVYLNLPPTVJX-MUUNZHRXSA-N 0 3 426.648 7.335 1 0 IKAFHN CC[C@@]1(CCCCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)c2ccccc2NC1=O ZINC000029054987 563073401 /nfs/dbraw/zinc/07/34/01/563073401.db2.gz TWNOAQCUHOXOHW-XMMPIXPASA-N 0 3 446.422 5.586 1 0 IKAFHN CC[C@]1(CCCCN2CCN(c3ccc(C)c(Cl)c3)CC2)c2ccccc2NC1=O ZINC000029054974 563073420 /nfs/dbraw/zinc/07/34/20/563073420.db2.gz WDKYMABIRCWBQO-VWLOTQADSA-N 0 3 426.004 5.241 1 0 IKAFHN O=C(NC1CCN(Cc2ccc3cc(F)ccc3c2)CC1)c1ccccc1-c1ccccc1 ZINC000029064439 563073856 /nfs/dbraw/zinc/07/38/56/563073856.db2.gz ZNVHQCHVPKEWRW-UHFFFAOYSA-N 0 3 438.546 6.040 1 0 IKAFHN COC(=O)c1ccc(-c2ccnc(Nc3ccnc(N[C@@H](C)c4ccccc4)c3)n2)cc1 ZINC000029126601 563074656 /nfs/dbraw/zinc/07/46/56/563074656.db2.gz GSAKLYFYKHKDEK-KRWDZBQOSA-N 0 3 425.492 5.242 1 0 IKAFHN COc1ccc([C@@H](c2cccs2)c2ccc(OC[C@H](O)CN3CCCCC3)cc2)cc1 ZINC000029131582 563075691 /nfs/dbraw/zinc/07/56/91/563075691.db2.gz XQVYFUMOSPOTPL-ATIYNZHBSA-N 0 3 437.605 5.163 1 0 IKAFHN COc1c(C)c(CNCCNc2ccnc3cc(Cl)ccc32)c(OC)c2ccccc21 ZINC000029135570 563076281 /nfs/dbraw/zinc/07/62/81/563076281.db2.gz AUAQIGHRSQAUOJ-UHFFFAOYSA-N 0 3 435.955 5.569 1 0 IKAFHN FC(F)(F)c1cc(CO[C@H]2C3CCN(CC3)[C@H]2c2ccccc2)cc(C(F)(F)F)c1 ZINC000029463892 563080258 /nfs/dbraw/zinc/08/02/58/563080258.db2.gz CJUCQSBUIKQBDX-PMACEKPBSA-N 0 3 429.404 6.076 1 0 IKAFHN CC1(C)Oc2ccccc2[C@H](c2ccc(OCCN3CCCC3)cc2)[C@H]1c1ccccc1 ZINC000029468368 563080533 /nfs/dbraw/zinc/08/05/33/563080533.db2.gz UFUJEOSDMVGVSC-WUFINQPMSA-N 0 3 427.588 6.248 1 0 IKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCN1CCC(c2c[nH]c3ccccc32)CC1 ZINC000029474604 563080814 /nfs/dbraw/zinc/08/08/14/563080814.db2.gz KJHSPYYFBUOQDN-SOFGYWHQSA-N 0 3 442.390 5.484 1 0 IKAFHN COc1ccccc1CCN1CCC(Nc2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000029558602 563082220 /nfs/dbraw/zinc/08/22/20/563082220.db2.gz PGALNAQYPDZJFD-UHFFFAOYSA-N 0 3 440.591 5.212 1 0 IKAFHN Fc1ccc(Cn2c3ccccc3nc2NC2CCN(CCc3ccccc3)CC2)cc1 ZINC000029564537 563082488 /nfs/dbraw/zinc/08/24/88/563082488.db2.gz UJYMLOAOICJQRV-UHFFFAOYSA-N 0 3 428.555 5.343 1 0 IKAFHN Clc1ccccc1Cn1c2ccccc2nc1NC1CCN(CCc2ccccc2)CC1 ZINC000029564986 563082554 /nfs/dbraw/zinc/08/25/54/563082554.db2.gz GOZRCCSOFUKNIN-UHFFFAOYSA-N 0 3 445.010 5.857 1 0 IKAFHN Cc1ccc2nc(NC3CCN(CCc4ccccc4)CC3)n(Cc3ccc(F)cc3)c2c1 ZINC000029565322 563082602 /nfs/dbraw/zinc/08/26/02/563082602.db2.gz JUBBQLLPGSUOBB-UHFFFAOYSA-N 0 3 442.582 5.651 1 0 IKAFHN C[C@H](c1ccccc1)N1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000029567360 563082659 /nfs/dbraw/zinc/08/26/59/563082659.db2.gz PCJUYAAOEVYFKT-HXUWFJFHSA-N 0 3 428.555 5.861 1 0 IKAFHN Fc1ccc(Cn2c3ccccc3nc2NC2CCN(CCc3cccs3)CC2)cc1 ZINC000029567042 563082725 /nfs/dbraw/zinc/08/27/25/563082725.db2.gz OCIADLQNQKTASI-UHFFFAOYSA-N 0 3 434.584 5.404 1 0 IKAFHN Fc1ccc(Cn2c(NC3CCN(C/C=C/c4ccccc4)CC3)nc3cccnc32)cc1 ZINC000029569387 563082939 /nfs/dbraw/zinc/08/29/39/563082939.db2.gz QYVDGJTZQMZPRV-VMPITWQZSA-N 0 3 441.554 5.208 1 0 IKAFHN CCCCN(CCCC)CC(=O)Nc1ccc([C@@H]2NC(=O)C(C)(C)c3ccccc32)cc1 ZINC000033852873 563084886 /nfs/dbraw/zinc/08/48/86/563084886.db2.gz ACOUIJHLOAHEOI-VWLOTQADSA-N 0 3 435.612 5.024 1 0 IKAFHN CCCCN(CCCC)CC(=O)Nc1ccc([C@H]2NC(=O)C(C)(C)c3ccccc32)cc1 ZINC000033852872 563084889 /nfs/dbraw/zinc/08/48/89/563084889.db2.gz ACOUIJHLOAHEOI-RUZDIDTESA-N 0 3 435.612 5.024 1 0 IKAFHN CN1CC[C@@](O)(c2ccc(Cl)c(Cl)c2)[C@H]([C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000036177275 563091614 /nfs/dbraw/zinc/09/16/14/563091614.db2.gz RRWQOIKRLCJAFP-FASAQXTFSA-N 0 3 435.178 5.173 1 0 IKAFHN Cc1ccc(C(=O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000034502816 563086344 /nfs/dbraw/zinc/08/63/44/563086344.db2.gz ASQUTXZYOFTTDB-UHFFFAOYSA-N 0 3 427.588 5.606 1 0 IKAFHN C[C@@H]1O[C@H](OC(=O)C(C)(C)C)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@@H]12 ZINC000036289065 563092580 /nfs/dbraw/zinc/09/25/80/563092580.db2.gz VGEVZGPUSONIIS-FCWAOUHXSA-N 0 3 431.661 5.808 1 0 IKAFHN CCc1ccc(C(=O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000036351461 563093298 /nfs/dbraw/zinc/09/32/98/563093298.db2.gz PUNWCEDDQDAMTK-UHFFFAOYSA-N 0 3 441.615 5.860 1 0 IKAFHN CCCCCc1cc(N)c2cc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)ccc2n1 ZINC000036351933 563093522 /nfs/dbraw/zinc/09/35/22/563093522.db2.gz IQVXYTILPWMXFT-MDWZMJQESA-N 0 3 427.470 6.220 1 0 IKAFHN Cc1c(CNCCC(C)C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040394915 563100665 /nfs/dbraw/zinc/10/06/65/563100665.db2.gz LAKGACVFDNZCGM-UHFFFAOYSA-N 0 3 436.814 6.944 1 0 IKAFHN [O-]c1cccc(C2=C(c3ccc(OCC[NH+]4CCCC4)cc3)c3ccc(F)cc3OCC2)c1 ZINC000040395666 563100841 /nfs/dbraw/zinc/10/08/41/563100841.db2.gz FDIUAXKVVLMXEX-UHFFFAOYSA-N 0 3 445.534 5.748 1 0 IKAFHN CN(C)CCN[C@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000040567112 563105042 /nfs/dbraw/zinc/10/50/42/563105042.db2.gz MVDFMYVUBRPBLN-LJQANCHMSA-N 0 3 434.424 5.133 1 0 IKAFHN COc1cc(NC(=O)c2ccc(C3CCCCC3)cc2)ccc1O[C@@]12CCN(C1)CCC2 ZINC000040567157 563105068 /nfs/dbraw/zinc/10/50/68/563105068.db2.gz JMLAROVVORWCQW-MHZLTWQESA-N 0 3 434.580 5.612 1 0 IKAFHN CCN(CC)CCOc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1C(C)=O ZINC000040567991 563105117 /nfs/dbraw/zinc/10/51/17/563105117.db2.gz XOLDVQNALWGUGS-UHFFFAOYSA-N 0 3 430.548 5.529 1 0 IKAFHN Cc1ccnc(C)c1C(=O)NCCN1CCC[C@@H](CC(c2ccccc2)c2ccccc2)C1 ZINC000040862148 563108163 /nfs/dbraw/zinc/10/81/63/563108163.db2.gz DLNFWGCPPFODIC-DEOSSOPVSA-N 0 3 441.619 5.362 1 0 IKAFHN Cc1ccnc(C)c1C(=O)NCCN1CCC[C@H](CC(c2ccccc2)c2ccccc2)C1 ZINC000040862146 563108209 /nfs/dbraw/zinc/10/82/09/563108209.db2.gz DLNFWGCPPFODIC-XMMPIXPASA-N 0 3 441.619 5.362 1 0 IKAFHN C(=C/c1ccccc1)\CN1CCN(CCCCCn2c3ccccc3c3ccccc32)CC1 ZINC000040874248 563109253 /nfs/dbraw/zinc/10/92/53/563109253.db2.gz CBHDUGHUMBTQQO-SDNWHVSQSA-N 0 3 437.631 6.296 1 0 IKAFHN O=c1oc(-c2ccc(OCCN3CCCC3)cc2)cc(-c2ccccc2)c1-c1ccccc1 ZINC000040973803 563115116 /nfs/dbraw/zinc/11/51/16/563115116.db2.gz GOJZHSIDAYQKGX-UHFFFAOYSA-N 0 3 437.539 6.115 1 0 IKAFHN CCCC[NH+](CCCC)CCCOc1cc([O-])c2c(=O)c(-c3ccc(O)cc3)coc2c1 ZINC000040976634 563115357 /nfs/dbraw/zinc/11/53/57/563115357.db2.gz KLTMGMMQIGZVQS-UHFFFAOYSA-N 0 3 439.552 5.542 1 0 IKAFHN Clc1ccc(-c2sc(CNC3CCCC3)nc2-c2ccc(Cl)cc2Cl)cc1 ZINC000043017945 563116971 /nfs/dbraw/zinc/11/69/71/563116971.db2.gz DLKTWVMWTIYSQJ-UHFFFAOYSA-N 0 3 437.823 7.470 1 0 IKAFHN O=C(N[C@H]1CCCN(Cc2ccc3cc(F)ccc3c2)C1)c1ccccc1-c1ccccc1 ZINC000043020087 563117136 /nfs/dbraw/zinc/11/71/36/563117136.db2.gz GDDUTDROJXVVIG-SANMLTNESA-N 0 3 438.546 6.040 1 0 IKAFHN Cc1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 ZINC000043120423 563118828 /nfs/dbraw/zinc/11/88/28/563118828.db2.gz KMEIRKGQUYYTLI-UHFFFAOYSA-N 0 3 434.798 6.840 1 0 IKAFHN Cc1cccc2[nH]c(-c3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)s3)nc21 ZINC000045189178 563123249 /nfs/dbraw/zinc/12/32/49/563123249.db2.gz ACVDOWGKYSRWPG-UHFFFAOYSA-N 0 3 430.577 5.092 1 0 IKAFHN Cc1cccc2nc(-c3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)s3)[nH]c21 ZINC000045189178 563123252 /nfs/dbraw/zinc/12/32/52/563123252.db2.gz ACVDOWGKYSRWPG-UHFFFAOYSA-N 0 3 430.577 5.092 1 0 IKAFHN Cc1ccc(NC(=O)c2ccc3ncccc3c2)cc1O[C@@H]1CCN(Cc2ccsc2)C1 ZINC000045190032 563123284 /nfs/dbraw/zinc/12/32/84/563123284.db2.gz QECZAEZKWFZJRH-HSZRJFAPSA-N 0 3 443.572 5.510 1 0 IKAFHN CN1CC[C@@H](Oc2cc(C(=O)NCc3ccc(Cl)c(Cl)c3)ccc2C(F)(F)F)C1 ZINC000045189967 563123297 /nfs/dbraw/zinc/12/32/97/563123297.db2.gz VONWQXBPOJQGSE-CQSZACIVSA-N 0 3 447.284 5.025 1 0 IKAFHN c1cc(CN2Cc3ccccc3OC3(CCN(Cc4c[nH]c5cnccc45)CC3)C2)cs1 ZINC000045193606 563124105 /nfs/dbraw/zinc/12/41/05/563124105.db2.gz IKANJHQCKISFPB-UHFFFAOYSA-N 0 3 444.604 5.054 1 0 IKAFHN O=C(NCC1CCN(C/C=C/c2ccccc2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000045210457 563125267 /nfs/dbraw/zinc/12/52/67/563125267.db2.gz XKPOAEUKUPVGPS-JXMROGBWSA-N 0 3 441.575 6.026 1 0 IKAFHN COCCNCc1ccc(-c2ccc3c(c2)nccc3Nc2ccc(Cl)cc2F)o1 ZINC000045227803 563125649 /nfs/dbraw/zinc/12/56/49/563125649.db2.gz WWBHQURSNYIFFB-UHFFFAOYSA-N 0 3 425.891 5.767 1 0 IKAFHN CN1CCN(c2ccnc3ccc(NC(=O)Nc4ccc(-c5ccccc5)cc4)cc32)CC1 ZINC000045227977 563125652 /nfs/dbraw/zinc/12/56/52/563125652.db2.gz VEDXEPWYLNIAJY-UHFFFAOYSA-N 0 3 437.547 5.298 1 0 IKAFHN CC(C)CCN1CC[C@H](Oc2ccc(NC(=O)c3ccc4ncccc4c3)cc2Cl)C1 ZINC000045228495 563125732 /nfs/dbraw/zinc/12/57/32/563125732.db2.gz JYPOPVDYXQMKTE-NRFANRHFSA-N 0 3 437.971 5.640 1 0 IKAFHN O[C@@H](CNCc1ccccc1)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 ZINC000045230236 563126128 /nfs/dbraw/zinc/12/61/28/563126128.db2.gz WMRFZVDNYFZHFV-LJAQVGFWSA-N 0 3 439.555 5.668 1 0 IKAFHN CCCCC[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C=C2C1=CCN(Cc2ccccc2)CC1 ZINC000045301778 563129303 /nfs/dbraw/zinc/12/93/03/563129303.db2.gz RVTTYHSALMSRNP-QFIPXVFZSA-N 0 3 445.647 7.463 1 0 IKAFHN O=C(Nc1ccc(OC2CCN(Cc3ccccc3)CC2)c(Cl)c1)c1cccs1 ZINC000045302184 563129357 /nfs/dbraw/zinc/12/93/57/563129357.db2.gz QOBAWQCMSNVHCE-UHFFFAOYSA-N 0 3 426.969 5.697 1 0 IKAFHN Nc1c2cc(Oc3ccc(Br)cc3Br)ccc2nc2c1CCCC2 ZINC000045302814 563129579 /nfs/dbraw/zinc/12/95/79/563129579.db2.gz JMXNMDSRGXWJAQ-UHFFFAOYSA-N 0 3 448.158 6.013 1 0 IKAFHN COc1ccc(CNCc2cccc(-c3ccc(-c4nc5c(cccc5C)[nH]4)s3)c2)cc1 ZINC000045322313 563130442 /nfs/dbraw/zinc/13/04/42/563130442.db2.gz DCSNTQSOHMQOSM-UHFFFAOYSA-N 0 3 439.584 6.565 1 0 IKAFHN COc1ccc(CNCc2cccc(-c3ccc(-c4nc5cccc(C)c5[nH]4)s3)c2)cc1 ZINC000045322313 563130443 /nfs/dbraw/zinc/13/04/43/563130443.db2.gz DCSNTQSOHMQOSM-UHFFFAOYSA-N 0 3 439.584 6.565 1 0 IKAFHN Fc1cc2c(cn1)C1(CCN(Cc3ccc(Nc4ccc(F)c(F)c4)cc3)CC1)OC2 ZINC000045322848 563130517 /nfs/dbraw/zinc/13/05/17/563130517.db2.gz KTRMFSXYMXPKHJ-UHFFFAOYSA-N 0 3 425.454 5.264 1 0 IKAFHN Cc1ccccc1CN1CCCN(Cc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)CC1 ZINC000045324043 563130792 /nfs/dbraw/zinc/13/07/92/563130792.db2.gz QPYCSVSZEBGLDK-UHFFFAOYSA-N 0 3 448.010 5.609 1 0 IKAFHN CNc1ccc(CNCc2ccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)cc3)cc2)cc1 ZINC000045324840 563130864 /nfs/dbraw/zinc/13/08/64/563130864.db2.gz FTJFHONKUPGDAL-UHFFFAOYSA-N 0 3 436.534 6.368 1 0 IKAFHN CN(C)Cc1ccc(-c2ccc3c(c2)nccc3Nc2ccc(Oc3ccccn3)cc2)o1 ZINC000045336233 563131514 /nfs/dbraw/zinc/13/15/14/563131514.db2.gz OLBAUZMSOJUPRI-UHFFFAOYSA-N 0 3 436.515 6.487 1 0 IKAFHN c1sc(Nc2ccncc2)nc1-c1ccc(-c2csc(Nc3ccncc3)n2)cc1 ZINC000045338107 563131698 /nfs/dbraw/zinc/13/16/98/563131698.db2.gz UWWNKZKBNGREQM-UHFFFAOYSA-N 0 3 428.546 6.211 1 0 IKAFHN COC(=O)[C@H](Oc1cccc(-c2ccc3sc(C(=N)N)cc3c2)c1)c1ccc(F)cc1 ZINC000045356452 563132624 /nfs/dbraw/zinc/13/26/24/563132624.db2.gz ZZDYUWKZQWIMOJ-JOCHJYFZSA-N 0 3 434.492 5.285 1 0 IKAFHN CN(C)CCn1nc(Nc2c(Cl)cccc2Cl)c2cnc(Nc3ccccc3)nc21 ZINC000045496053 563134443 /nfs/dbraw/zinc/13/44/43/563134443.db2.gz XQRGMQCYPWDDOP-UHFFFAOYSA-N 0 3 442.354 5.182 1 0 IKAFHN CC1(C)C[C@@H](N)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1 ZINC000049035102 563136199 /nfs/dbraw/zinc/13/61/99/563136199.db2.gz JQSKLRZZZNTNOZ-LJQANCHMSA-N 0 3 433.766 6.937 1 0 IKAFHN CC[C@@H]1CN2CCc3c4ccccc4[nH]c3[C@H]2C[C@@H]1CC1=NCCc2c3ccccc3[nH]c21 ZINC000058494563 563143592 /nfs/dbraw/zinc/14/35/92/563143592.db2.gz DDSRFAMOWJZKMB-VXLXPWSCSA-N 0 3 436.603 6.030 1 0 IKAFHN CC(C)CN1CC2(CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000058511801 563143791 /nfs/dbraw/zinc/14/37/91/563143791.db2.gz CRJZLZIFNPMFEE-JOCHJYFZSA-N 0 3 447.957 5.945 1 0 IKAFHN CC(C)CN1CCN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc32)CC1 ZINC000058574978 563144771 /nfs/dbraw/zinc/14/47/71/563144771.db2.gz PLMLKPBHGMZTSK-UHFFFAOYSA-N 0 3 444.627 5.214 1 0 IKAFHN C[C@@H](NCc1ccc(OC(F)(F)F)c(-c2ccc(C(F)(F)F)cc2)c1)c1ccccc1 ZINC000058583553 563145231 /nfs/dbraw/zinc/14/52/31/563145231.db2.gz RQHVFCVUHGUXGB-OAHLLOKOSA-N 0 3 439.399 7.122 1 0 IKAFHN c1ccc([C@H]2[C@H]3CN(Cc4cccnc4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cc1 ZINC000059830575 563146719 /nfs/dbraw/zinc/14/67/19/563146719.db2.gz NUJHFKHMMFVVEU-LMBSYKFDSA-N 0 3 443.594 6.165 3 0 IKAFHN N[C@@H](Cc1ccc(Cl)cc1)c1csc(Nc2ccc(C(=O)c3ccccc3)cc2)n1 ZINC000061897078 563147531 /nfs/dbraw/zinc/14/75/31/563147531.db2.gz WBFSORXEGIHBOK-NRFANRHFSA-N 0 3 433.964 6.014 3 0 IKAFHN C[C@H](NC(=O)C1CCN(CCOc2ccc(Cl)cc2)CC1)c1cccc2ccccc21 ZINC000061897583 563147610 /nfs/dbraw/zinc/14/76/10/563147610.db2.gz YSFSGKBBGFAUKW-IBGZPJMESA-N 0 3 436.983 5.461 3 0 IKAFHN CC(=O)c1cc2cccc(O[C@@]3(C)CCN(Cc4ccc(-c5ccccn5)cc4)C3)c2o1 ZINC000061907734 563148900 /nfs/dbraw/zinc/14/89/00/563148900.db2.gz BNZVULXUJTVIDV-MHZLTWQESA-N 0 3 426.516 5.741 3 0 IKAFHN COc1ccc2sc(-c3cccc(OC)c3)c(-c3ccc(OCCN(C)C)cc3)c2c1 ZINC000061947972 563151549 /nfs/dbraw/zinc/15/15/49/563151549.db2.gz GSFVSUDIBTYRBH-UHFFFAOYSA-N 0 3 433.573 6.193 3 0 IKAFHN Cc1ccc2cc(-c3n[nH]c4ccc(NC5CCN(Cc6ccccc6)CC5)cc43)[nH]c2c1 ZINC000066077826 563157770 /nfs/dbraw/zinc/15/77/70/563157770.db2.gz DWXFUBUNKOCZDN-UHFFFAOYSA-N 0 3 435.575 6.096 1 0 IKAFHN O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)N[C@@H](c1ccccc1)N2 ZINC000066099406 563158112 /nfs/dbraw/zinc/15/81/12/563158112.db2.gz KGNFAYMSUAICCE-NDEPHWFRSA-N 0 3 425.576 6.098 1 0 IKAFHN C[C@@H](NC[C@@H]1NS(=O)(=O)c2ccccc2-c2ccccc21)c1cccc2ccccc21 ZINC000072109944 563163323 /nfs/dbraw/zinc/16/33/23/563163323.db2.gz ZKVSEDABNBOCTA-CJAUYULYSA-N 0 3 428.557 5.191 1 0 IKAFHN O=C1Nc2ccc(F)cc2[C@H]1CCCCN1CC=C(c2cccc(C(F)(F)F)c2)CC1 ZINC000072140993 563164558 /nfs/dbraw/zinc/16/45/58/563164558.db2.gz AFFLRZAJRVFCHF-HXUWFJFHSA-N 0 3 432.461 5.840 1 0 IKAFHN CC[C@]1(CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc2NC1=O ZINC000072140989 563164563 /nfs/dbraw/zinc/16/45/63/563164563.db2.gz XYUHOLLIDTYVJU-DEOSSOPVSA-N 0 3 445.529 5.298 1 0 IKAFHN CCCN1CCc2cccc3c2[C@@H]1Cc1cccc(OC(=O)CSc2ccccc2)c1-3 ZINC000072176170 563165602 /nfs/dbraw/zinc/16/56/02/563165602.db2.gz LSKSSWIRNDMQHX-QHCPKHFHSA-N 0 3 429.585 5.917 1 0 IKAFHN CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OC(=O)Nc2cccc4ccccc42)c1-3 ZINC000072176064 563165608 /nfs/dbraw/zinc/16/56/08/563165608.db2.gz GSEIFCYYFLMJKI-AREMUKBSSA-N 0 3 448.566 6.983 1 0 IKAFHN CCN(Cc1coc(-c2ccc(Br)cc2)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000072184142 563167790 /nfs/dbraw/zinc/16/77/90/563167790.db2.gz VASKGEOBOYXLJS-JOCHJYFZSA-N 0 3 440.385 5.201 1 0 IKAFHN Fc1ccccc1N1CCC(N[C@@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072184712 563167881 /nfs/dbraw/zinc/16/78/81/563167881.db2.gz DRQPQGJCMCMGNE-QHCPKHFHSA-N 0 3 429.461 5.588 1 0 IKAFHN CCCCC[C@@H](C)NCc1coc(-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)n1 ZINC000072184969 563167992 /nfs/dbraw/zinc/16/79/92/563167992.db2.gz JVRPGOWYIPUHKF-QGZVFWFLSA-N 0 3 447.406 7.286 1 0 IKAFHN CC(C)c1c(OC[C@@H](O)CNCc2ccccc2)ccc2c1CC[C@H]1C(C)(C)CCC[C@]21C ZINC000073198207 563169971 /nfs/dbraw/zinc/16/99/71/563169971.db2.gz MWMMCUURYAJKBS-DCABOPQKSA-N 0 3 449.679 6.370 1 0 IKAFHN Nc1scc(CN2CCN(C3CCCCCC3)CC2)c1C(=O)c1ccc(Cl)cc1 ZINC000073223837 563170945 /nfs/dbraw/zinc/17/09/45/563170945.db2.gz AZYUIXUQGNQGEY-UHFFFAOYSA-N 0 3 432.033 5.055 1 0 IKAFHN FC(F)(F)Oc1ccc(CN2CCC3(CC2)O[C@H](c2ccccn2)c2ccccc23)cc1 ZINC000073276004 563171659 /nfs/dbraw/zinc/17/16/59/563171659.db2.gz JAPIDKMATJUVAF-QHCPKHFHSA-N 0 3 440.465 5.591 1 0 IKAFHN Clc1ccc(C[C@H]2Cc3ccccc3[C@H]2N2CCN(c3ccccc3)CC2)c(Cl)c1 ZINC000082151869 563173231 /nfs/dbraw/zinc/17/32/31/563173231.db2.gz NUNCZTOTHHYKSZ-RLWLMLJZSA-N 0 3 437.414 6.272 1 0 IKAFHN Clc1ccc(C[C@H]2Cc3ccccc3[C@@H]2N2CCN(c3ccccc3)CC2)c(Cl)c1 ZINC000082151872 563173261 /nfs/dbraw/zinc/17/32/61/563173261.db2.gz NUNCZTOTHHYKSZ-QFQXNSOFSA-N 0 3 437.414 6.272 1 0 IKAFHN Clc1ccc(C[C@@H]2Cc3ccccc3[C@@H]2N2CCN(c3ccccc3)CC2)c(Cl)c1 ZINC000082151877 563173375 /nfs/dbraw/zinc/17/33/75/563173375.db2.gz NUNCZTOTHHYKSZ-HFZDXXHNSA-N 0 3 437.414 6.272 1 0 IKAFHN Clc1ccc2c(c1)nccc2Nc1ccc2sc(NCCN3CCCCC3)nc2c1 ZINC000084712330 563177516 /nfs/dbraw/zinc/17/75/16/563177516.db2.gz KWDNXLXOADBIDK-UHFFFAOYSA-N 0 3 438.000 6.139 1 0 IKAFHN Cc1c(OC2CCN(C)CC2)ccc2cc(-c3ccc(OC(F)(F)F)cc3)c(=O)oc12 ZINC000084730162 563178419 /nfs/dbraw/zinc/17/84/19/563178419.db2.gz WGAWKJDWHKFXSK-UHFFFAOYSA-N 0 3 433.426 5.140 1 0 IKAFHN COc1ccc(-c2scc3c2C[C@@H](OC)OC32CCN(Cc3ccccc3)CC2)cc1 ZINC000095552706 563180874 /nfs/dbraw/zinc/18/08/74/563180874.db2.gz AUFQIIRSCHGCMZ-DEOSSOPVSA-N 0 3 435.589 5.460 1 0 IKAFHN Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)C[NH2+]Cc3ccc([O-])c4ccccc34)C[C@@H]1O2 ZINC000095557422 563181652 /nfs/dbraw/zinc/18/16/52/563181652.db2.gz UQNWNPAZSAOHFR-QDKQFYOWSA-N 0 3 431.532 5.177 1 0 IKAFHN Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)C[NH2+]Cc3ccc([O-])c4ccccc34)C[C@@H]1O2 ZINC000095557421 563181656 /nfs/dbraw/zinc/18/16/56/563181656.db2.gz UQNWNPAZSAOHFR-YLNNLZOCSA-N 0 3 431.532 5.177 1 0 IKAFHN Clc1cccc(C2CCN(CCCCOc3ccc4scnc4c3)CC2)c1Cl ZINC000095557182 563181665 /nfs/dbraw/zinc/18/16/65/563181665.db2.gz DXXXGJIMFKZHRL-UHFFFAOYSA-N 0 3 435.420 6.642 1 0 IKAFHN CN(C(=O)/C=C/c1ccoc1)[C@H]1CC[C@H]2[C@H]3CC4=C(CCCC4)[C@@]2(CCN3CC2CC2)C1 ZINC000095557892 563181693 /nfs/dbraw/zinc/18/16/93/563181693.db2.gz PVLNUKRKZJPSBR-IXZAQLOYSA-N 0 3 434.624 5.665 1 0 IKAFHN CCN1CCN(CCc2ccc([C@@H](c3ccccc3)C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000095558169 563181747 /nfs/dbraw/zinc/18/17/47/563181747.db2.gz ULRNPMQYZHBUNR-QTOQHBCNSA-N 0 3 442.691 6.215 1 0 IKAFHN Oc1cccc(-c2sc3ccccc3c2-c2ccc(OCCN3CCCCC3)cc2)c1 ZINC000095566313 563183496 /nfs/dbraw/zinc/18/34/96/563183496.db2.gz CHNSXPXNKGSFSO-UHFFFAOYSA-N 0 3 429.585 6.806 3 0 IKAFHN Cc1ccccc1C(=O)NCC1CCN(CCOc2cccc(-c3ccccc3)c2)CC1 ZINC000095572020 563184723 /nfs/dbraw/zinc/18/47/23/563184723.db2.gz KPYHYLWVFLGQPS-UHFFFAOYSA-N 0 3 428.576 5.183 1 0 IKAFHN CN1c2ccccc2C(=O)N(c2ccccc2)[C@@H]1c1ccc(CNCc2ccccc2)s1 ZINC000095584804 563188648 /nfs/dbraw/zinc/18/86/48/563188648.db2.gz TYXPKGCJOAUAFW-AREMUKBSSA-N 0 3 439.584 5.833 1 0 IKAFHN CN1CCC(COCc2cc(C(F)(F)F)cc(C3CC3)n2)(c2cccc(Cl)c2)CC1 ZINC000095589266 563189586 /nfs/dbraw/zinc/18/95/86/563189586.db2.gz PZNXMYGCDJHLCM-UHFFFAOYSA-N 0 3 438.921 5.811 1 0 IKAFHN CC(C)=Cc1cc(C(F)(F)F)cc(COCC2(c3ccc(F)cc3)CCN(C)CC2)n1 ZINC000095591117 563190191 /nfs/dbraw/zinc/19/01/91/563190191.db2.gz KIMCCCOLDQMMTA-UHFFFAOYSA-N 0 3 436.493 5.843 1 0 IKAFHN CCCOc1ccc(-c2cc(OCCN(CC)Cc3ccccc3)c3ccccc3n2)cc1 ZINC000096927241 563198088 /nfs/dbraw/zinc/19/80/88/563198088.db2.gz PAGGEXHWKCEKHF-UHFFFAOYSA-N 0 3 440.587 6.592 1 0 IKAFHN CCCOc1ccc(-c2cc(OCCN3CCc4ccccc4C3)c3ccccc3n2)cc1 ZINC000096927236 563198110 /nfs/dbraw/zinc/19/81/10/563198110.db2.gz AICRTCIWQAFNOT-UHFFFAOYSA-N 0 3 438.571 6.128 1 0 IKAFHN CC1=C2C[C@@]34[C@@H]5C6=C(CC=C6C[C@]3(C)[C@]2(CC1)[C@H](C)CC41CCCC1)C[C@@H]1CCC[C@@]12CN52 ZINC000085548126 560072162 /nfs/dbraw/zinc/07/21/62/560072162.db2.gz YDRHBDDTJPOUJF-RCNQTEOJSA-N 0 3 441.703 7.737 1 0 biogenic,in-vitro IKAFHN COc1cccc2c1c(OC)cc(C)c2-c1c(OC)cc(OC)c2c1C[C@H](C)N(C)[C@@H]2C ZINC000013359262 560214938 /nfs/dbraw/zinc/21/49/38/560214938.db2.gz KKJVVBRCACGMIS-DLBZAZTESA-N 0 3 435.564 5.787 1 0 biogenic,in-vitro IKAFHN O=C1c2cccc3cccc(c23)N1CCN1CCC(Cc2c[nH]c3ccc(F)cc23)CC1 ZINC000000597801 562918529 /nfs/dbraw/zinc/91/85/29/562918529.db2.gz WRHKYIREOIGMLR-UHFFFAOYSA-N 0 3 427.523 5.375 1 0 IKAFHN Cc1c(CCN2CCN(c3cc(C)ccn3)CC2)c2cc(CC(C)C)cc3c2n1CCC3 ZINC000000599028 562918603 /nfs/dbraw/zinc/91/86/03/562918603.db2.gz FAFPTRSSYYJGEX-UHFFFAOYSA-N 0 3 430.640 5.163 1 0 investigational IKAFHN COCc1cccc(CN2CCC(N3C(=O)Nc4ccccc4[C@H]3c3ccccc3)CC2)c1 ZINC000003975341 562940239 /nfs/dbraw/zinc/94/02/39/562940239.db2.gz QVXJYKZYIAVFLK-HHHXNRCGSA-N 0 3 441.575 5.435 1 0 IKAFHN O=C1Nc2ccc(Cl)c3c2[C@@]1(CCCCN1CC=C(c2ccc(F)cc2)CC1)CCC3 ZINC000003992517 562940516 /nfs/dbraw/zinc/94/05/16/562940516.db2.gz UWPMACBSCARCRJ-AREMUKBSSA-N 0 3 438.974 5.965 1 0 IKAFHN COc1ccc2c(c1)OCC(c1ccccc1)=C2c1ccc(OCCN2CCCC2)cc1 ZINC000005640417 562944500 /nfs/dbraw/zinc/94/45/00/562944500.db2.gz UYFNTTSLCDBZMY-UHFFFAOYSA-N 0 3 427.544 5.521 1 0 IKAFHN Cc1csc([C@H](C)NC(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)n1 ZINC000012225578 562980977 /nfs/dbraw/zinc/98/09/77/562980977.db2.gz UUCJFRHMTOBCTF-FQEVSTJZSA-N 0 3 449.620 5.028 3 0 IKAFHN O=c1c(-c2ccc(OC(F)(F)F)cc2)cccn1[C@@H](CN1CCCC1)c1ccccc1 ZINC000013436610 562985945 /nfs/dbraw/zinc/98/59/45/562985945.db2.gz AIGBFJAZWRJQLT-QFIPXVFZSA-N 0 3 428.454 5.099 1 0 IKAFHN Oc1ccc2c3c(ccc2c1)-c1ccccc1[C@H]3c1ccc(OCCN2CCCCC2)cc1 ZINC000013451383 562987401 /nfs/dbraw/zinc/98/74/01/562987401.db2.gz QQZQFFQHCZSFNV-GDLZYMKVSA-N 0 3 435.567 6.571 1 0 IKAFHN CCCN(CCC)CCCOc1ccc(S(=O)(=O)c2c(CC)cn3ccccc23)cc1 ZINC000013451443 562987409 /nfs/dbraw/zinc/98/74/09/562987409.db2.gz UTIUVXZUDOEYSN-UHFFFAOYSA-N 0 3 442.625 5.225 1 0 IKAFHN CN(C)Cc1ccc(CSCc2ccc(CSCc3ccc(CN(C)C)o3)cc2)o1 ZINC000013452614 562987553 /nfs/dbraw/zinc/98/75/53/562987553.db2.gz BKKRKDDJCRFGHJ-UHFFFAOYSA-N 0 3 444.666 5.863 1 0 IKAFHN O=C(Nc1ccccc1)Nc1ccccc1[C@H](O)CN1CCC(Cc2ccccc2)CC1 ZINC000013475776 562988954 /nfs/dbraw/zinc/98/89/54/562988954.db2.gz MDINXBRCQYXZRD-AREMUKBSSA-N 0 3 429.564 5.319 1 0 IKAFHN O=C(Nc1ccccc1CN1CCC(Cc2ccccc2)CC1)Nc1cc(F)ccc1F ZINC000013475742 562988956 /nfs/dbraw/zinc/98/89/56/562988956.db2.gz BGGVTZNDSREPFI-UHFFFAOYSA-N 0 3 435.518 6.064 1 0 IKAFHN O=C(NCCc1ccc(F)cc1)Nc1ccccc1CN1CCC(Cc2ccccc2)CC1 ZINC000013475787 562988970 /nfs/dbraw/zinc/98/89/70/562988970.db2.gz HRTGCUFRXTWMCL-UHFFFAOYSA-N 0 3 445.582 5.645 1 0 IKAFHN O=C(Nc1ccccc1)Nc1cccc(CO)c1CN1CCC(Cc2ccc(F)cc2)CC1 ZINC000013475859 562989007 /nfs/dbraw/zinc/98/90/07/562989007.db2.gz ONPWEDRTDHCKDY-UHFFFAOYSA-N 0 3 447.554 5.417 1 0 IKAFHN O=c1c(Nc2ccc(C(F)(F)F)cc2)cccn1[C@@H](CN1CCCC1)c1ccccc1 ZINC000013488455 562989730 /nfs/dbraw/zinc/98/97/30/562989730.db2.gz YDERVMVDVJLMFH-QFIPXVFZSA-N 0 3 427.470 5.296 1 0 IKAFHN Cc1c2cc(F)ccc2sc1C1CCN(C[C@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000013490094 562990197 /nfs/dbraw/zinc/99/01/97/562990197.db2.gz IIIYSHZFBXJZLJ-IBGZPJMESA-N 0 3 438.568 5.449 1 0 IKAFHN Fc1ccc(C(OCCC2CCN(C/C=C/c3ccccc3)CC2)c2ccc(F)cc2)cc1 ZINC000013491393 562990421 /nfs/dbraw/zinc/99/04/21/562990421.db2.gz XCEOQSGAJFHDBK-QPJJXVBHSA-N 0 3 447.569 6.886 1 0 IKAFHN COc1cc2c(cc1OC)CN(CC[C@H](Oc1ccc(Cl)cc1)c1ccccc1)CC2 ZINC000013530649 562992009 /nfs/dbraw/zinc/99/20/09/562992009.db2.gz MKSJGKFVKSOTMY-DEOSSOPVSA-N 0 3 437.967 5.926 1 0 IKAFHN Cc1ccc2cc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]ccc54)[C@@H](C)C3)sc2c1 ZINC000013535680 562992413 /nfs/dbraw/zinc/99/24/13/562992413.db2.gz OCNYAGTUKGAQCN-TYPHKJRUSA-N 0 3 434.605 5.699 1 0 IKAFHN CCCN(Cc1sc(Nc2c(CC)cccc2CC)nc1C(F)(F)F)CC1CC1 ZINC000013587349 562995663 /nfs/dbraw/zinc/99/56/63/562995663.db2.gz WIOZEXBDJKNFCC-UHFFFAOYSA-N 0 3 425.564 6.652 1 0 IKAFHN O=C1c2ccc(Oc3ccccc3)cc2CC[C@H]1CCN1CCC(c2ccccc2)CC1 ZINC000013588381 562996032 /nfs/dbraw/zinc/99/60/32/562996032.db2.gz TZGYJUURLLBJGQ-DEOSSOPVSA-N 0 3 425.572 6.494 1 0 IKAFHN CN(C)CCOc1ccc([C@@]2(c3ccccc3)[C@@H](c3ccccc3)C2(Cl)Cl)cc1 ZINC000013649374 562998908 /nfs/dbraw/zinc/99/89/08/562998908.db2.gz IDPUGYXWCKNQJB-RPWUZVMVSA-N 0 3 426.387 5.884 1 0 IKAFHN CN1CCCC[C@@H]1Cn1cc(C(=O)c2ccc(CCO)c3ccccc23)c2ccccc21 ZINC000013672816 563000167 /nfs/dbraw/zinc/00/01/67/563000167.db2.gz YSNVWEVEYXZGIZ-OAQYLSRUSA-N 0 3 426.560 5.045 1 0 IKAFHN CCN(CCCCC[C@H]1Cc2cc(OC)c(OC)cc2C1=O)Cc1ccccc1OC ZINC000013738613 563002838 /nfs/dbraw/zinc/00/28/38/563002838.db2.gz PNORNHQDZBPDRE-IBGZPJMESA-N 0 3 425.569 5.150 1 0 IKAFHN COc1ccc2c(c1)[C@@H](CCCN1CCN(c3cccc(C(F)(F)F)c3)CC1)CCC2 ZINC000013740696 563003124 /nfs/dbraw/zinc/00/31/24/563003124.db2.gz XGJBTUNWSSZAJD-LJQANCHMSA-N 0 3 432.530 5.736 1 0 IKAFHN Fc1ccc(N2CCN(CCC[C@H]3CN(Cc4ccccc4)c4ccccc4O3)CC2)cc1 ZINC000013780761 563006552 /nfs/dbraw/zinc/00/65/52/563006552.db2.gz UHIKBLAHVMJFRO-SANMLTNESA-N 0 3 445.582 5.196 1 0 IKAFHN O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-c3ccco3)n2)CC1 ZINC000013782356 563006770 /nfs/dbraw/zinc/00/67/70/563006770.db2.gz KSZMCVDTZBUUIA-UHFFFAOYSA-N 0 3 444.362 5.290 1 0 IKAFHN O=C(c1cccs1)N(c1c(Cl)cccc1Cl)C1CCN(Cc2ccccc2)CC1 ZINC000013817799 563009653 /nfs/dbraw/zinc/00/96/53/563009653.db2.gz UWAWUASXFCAUES-UHFFFAOYSA-N 0 3 445.415 6.366 1 0 IKAFHN CNc1nc(-c2ccc(CCN3CCN(c4cccc5ccccc54)CC3)cc2)cs1 ZINC000013822238 563010127 /nfs/dbraw/zinc/01/01/27/563010127.db2.gz NMRBIVALVIFCPC-UHFFFAOYSA-N 0 3 428.605 5.370 1 0 IKAFHN COc1ccc(O[C@@H](CCN2CCN(c3ccc(Cl)cc3)CC2)c2ccccc2)cc1 ZINC000013861708 563012774 /nfs/dbraw/zinc/01/27/74/563012774.db2.gz VYONZOVNZCVKFR-SANMLTNESA-N 0 3 436.983 5.681 1 0 IKAFHN CCCNC(=O)c1c(CN(CC)Cc2ccccc2)nc2ccccc2c1-c1ccccc1 ZINC000013862487 563013019 /nfs/dbraw/zinc/01/30/19/563013019.db2.gz HLRCLDAIHXKQGX-UHFFFAOYSA-N 0 3 437.587 6.064 1 0 IKAFHN CC(C)[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1CN(C)C)c1ccccc1 ZINC000013862763 563013208 /nfs/dbraw/zinc/01/32/08/563013208.db2.gz GGXDLXDHGKHOEN-MHZLTWQESA-N 0 3 437.587 6.091 1 0 IKAFHN CC1(C)Cc2ccccc2[C@@H](CN2CCCC2)N1C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000013890505 563013855 /nfs/dbraw/zinc/01/38/55/563013855.db2.gz JGXZBLFYAWGGPA-JOCHJYFZSA-N 0 3 431.407 5.536 1 0 IKAFHN Cc1cccc(C)c1Nc1ncc(-c2cccc(OC[C@@H]3CCCN(C)C3)c2)n2cncc12 ZINC000013981062 563014171 /nfs/dbraw/zinc/01/41/71/563014171.db2.gz CMZVYJMYCACHOM-OAQYLSRUSA-N 0 3 441.579 5.477 1 0 IKAFHN FC(F)(F)c1cc(Nc2nc3ccc(Oc4ccnc5[nH]ccc54)cc3[nH]2)ccc1Cl ZINC000014965235 563016383 /nfs/dbraw/zinc/01/63/83/563016383.db2.gz PKKYJYFGTICOFP-UHFFFAOYSA-N 0 3 443.816 6.647 1 0 IKAFHN CCc1ccccc1N1CCN(CCCCCC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000014975956 563016831 /nfs/dbraw/zinc/01/68/31/563016831.db2.gz VCNZQKOEJRCPML-SANMLTNESA-N 0 3 433.640 5.125 1 0 IKAFHN CC(C)c1ccccc1N1CCN(CCCCCC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000014975974 563016866 /nfs/dbraw/zinc/01/68/66/563016866.db2.gz CPWLTNLRAGBWKJ-HHHXNRCGSA-N 0 3 447.667 5.686 1 0 IKAFHN COc1ccc(C(C(F)(F)F)C(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 ZINC000022450690 563025651 /nfs/dbraw/zinc/02/56/51/563025651.db2.gz XOHNGGNSGAFTFL-HKUYNNGSSA-N 0 3 446.435 5.486 1 0 IKAFHN Fc1ccc(CN(CCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1 ZINC000022925697 563025957 /nfs/dbraw/zinc/02/59/57/563025957.db2.gz OCAZYHPPOVXLLX-UHFFFAOYSA-N 0 3 449.589 5.222 1 0 IKAFHN Fc1ccc(N(CCCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1 ZINC000022930222 563026279 /nfs/dbraw/zinc/02/62/79/563026279.db2.gz QRXKIUOQVSOXIG-UHFFFAOYSA-N 0 3 449.589 5.743 1 0 IKAFHN CN1CCN(CCCNc2cc(Cl)ccc2Sc2cc(Cl)ccc2Cl)CC1 ZINC000022938717 563026518 /nfs/dbraw/zinc/02/65/18/563026518.db2.gz INKFLANVNINBDL-UHFFFAOYSA-N 0 3 444.859 5.847 1 0 IKAFHN N[C@H](c1cccc(Cl)c1)[C@@H]1CCN1C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000022941587 563026932 /nfs/dbraw/zinc/02/69/32/563026932.db2.gz CMTHWWKNGGNXPC-FCHUYYIVSA-N 0 3 431.794 6.511 1 0 IKAFHN CN1CCN(CCCOc2ccc(-c3nc4c(ccc5ccccc45)[nH]3)c(Cl)c2)CC1 ZINC000023361013 563027238 /nfs/dbraw/zinc/02/72/38/563027238.db2.gz SKQKGGHCXLOMFJ-UHFFFAOYSA-N 0 3 434.971 5.053 1 0 IKAFHN CN1CCN(CCCOc2ccc(-c3nc4ccc5ccccc5c4[nH]3)c(Cl)c2)CC1 ZINC000023361013 563027239 /nfs/dbraw/zinc/02/72/39/563027239.db2.gz SKQKGGHCXLOMFJ-UHFFFAOYSA-N 0 3 434.971 5.053 1 0 IKAFHN COc1ccc2c(c1)CCC=C2CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000025988192 563028098 /nfs/dbraw/zinc/02/80/98/563028098.db2.gz RTTLUSMWCVHYGQ-UHFFFAOYSA-N 0 3 430.514 5.646 1 0 IKAFHN C[C@H](NC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)c1cccc2ccccc21 ZINC000026154140 563029034 /nfs/dbraw/zinc/02/90/34/563029034.db2.gz JVELVBSSYRSDHV-URXFXBBRSA-N 0 3 444.600 5.080 1 0 IKAFHN CCNC(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)N3Cc2ccccn2)cc1 ZINC000026183976 563029791 /nfs/dbraw/zinc/02/97/91/563029791.db2.gz CKQUTXHPDBLPAE-MKPDMIMOSA-N 0 3 437.587 5.460 1 0 IKAFHN O[C@H](CCCN1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccccc1 ZINC000026188779 563029823 /nfs/dbraw/zinc/02/98/23/563029823.db2.gz KNNOMOYAJVUIED-WYMJOSIYSA-N 0 3 434.530 5.788 1 0 IKAFHN CC(=O)NCCCCCCCN1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1 ZINC000026254385 563030135 /nfs/dbraw/zinc/03/01/35/563030135.db2.gz YPOQGLRHFMTALJ-AZGAKELHSA-N 0 3 441.566 5.361 1 0 IKAFHN COc1ccc2c(c1)OC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCCC2)cc1 ZINC000026255973 563030188 /nfs/dbraw/zinc/03/01/88/563030188.db2.gz GOCOLXIVFQWUBL-XRKRLSELSA-N 0 3 443.587 5.868 1 0 IKAFHN Cc1cc(OCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c(C)c1O ZINC000026471843 563032169 /nfs/dbraw/zinc/03/21/69/563032169.db2.gz NBJCNEVQZGIPSG-UHFFFAOYSA-N 0 3 444.619 5.494 1 0 IKAFHN CCC(=O)N(c1ccccc1F)C1(c2ccccc2)CCN(CCc2ccsc2)CC1 ZINC000026507041 563032971 /nfs/dbraw/zinc/03/29/71/563032971.db2.gz HEVPVURSPUJVOI-UHFFFAOYSA-N 0 3 436.596 5.864 1 0 IKAFHN CCC(=O)N(c1ccccc1F)C1(c2ccccc2)CCN(CCc2cccs2)CC1 ZINC000026566604 563033090 /nfs/dbraw/zinc/03/30/90/563033090.db2.gz GKSDPGGOSNBYAC-UHFFFAOYSA-N 0 3 436.596 5.864 1 0 IKAFHN C[C@@H]1[C@@H](C)c2ccccc2[C@@H](CN2CCCC2)N1C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000026744678 563036357 /nfs/dbraw/zinc/03/63/57/563036357.db2.gz PLYOATQTXPMHSZ-SEPYTNNBSA-N 0 3 431.407 5.707 1 0 IKAFHN C[C@@H]1c2ccccc2[C@@H](CN2CCCC2)N(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H]1C ZINC000026817589 563036803 /nfs/dbraw/zinc/03/68/03/563036803.db2.gz PLYOATQTXPMHSZ-HKARXFIJSA-N 0 3 431.407 5.707 1 0 IKAFHN CCCc1c(-c2csc(-c3cc(C(=N)N)sc3SC)n2)cnn1-c1ccccc1 ZINC000026825242 563037079 /nfs/dbraw/zinc/03/70/79/563037079.db2.gz UUHREWALSIMSCY-UHFFFAOYSA-N 0 3 439.635 5.683 1 0 IKAFHN COc1ccc2c(c1)O[C@@H](c1ccc(OCCN3CCCC3)cc1)[C@H](c1ccccc1)C2=O ZINC000026946159 563038075 /nfs/dbraw/zinc/03/80/75/563038075.db2.gz KQGPDKRGLZIJCH-IAPPQJPRSA-N 0 3 443.543 5.270 1 0 IKAFHN CN1CC[C@@](O)(c2ccc(Cl)c(Cl)c2)[C@@H]([C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000027179190 563040078 /nfs/dbraw/zinc/04/00/78/563040078.db2.gz RRWQOIKRLCJAFP-ZNZDAUKMSA-N 0 3 435.178 5.173 1 0 IKAFHN CCCC[C@@H]1CCc2cc(O)cc3c(CCN4CCN(c5cc(C)ccn5)CC4)c(C)n1c32 ZINC000027734859 563046352 /nfs/dbraw/zinc/04/63/52/563046352.db2.gz GLTHSRFPHHLMIW-HSZRJFAPSA-N 0 3 446.639 5.401 1 0 IKAFHN Cn1c2ccccc2c2c1CC[C@H](CN1CC=C(c3c[nH]c4ccc(F)cc34)CC1)C2=O ZINC000027738305 563046451 /nfs/dbraw/zinc/04/64/51/563046451.db2.gz MREHFQAOUHEUFA-GOSISDBHSA-N 0 3 427.523 5.333 1 0 IKAFHN O=C(c1ccoc1)N(c1nc2ccccc2s1)C1CCN(CCc2ccccc2)CC1 ZINC000027741757 563046566 /nfs/dbraw/zinc/04/65/66/563046566.db2.gz GPBQMMHNXJPEFU-UHFFFAOYSA-N 0 3 431.561 5.243 1 0 IKAFHN CCc1nn(CCN(C)C)c(CC)c1CCCCCCOc1ccc(OC)cc1Cl ZINC000027853614 563047391 /nfs/dbraw/zinc/04/73/91/563047391.db2.gz MHYMRRLIJJOMKS-UHFFFAOYSA-N 0 3 436.040 5.413 1 0 IKAFHN CSc1sc(C(=N)N)cc1-c1csc(NC(c2ccccc2)c2ccccc2)n1 ZINC000028003800 563049332 /nfs/dbraw/zinc/04/93/32/563049332.db2.gz ABEISAYFSWNEFB-UHFFFAOYSA-N 0 3 436.631 6.079 1 0 IKAFHN FC(F)(F)c1nc(Nc2c(Cl)cc(Cl)cc2Cl)sc1CNCC1CC1 ZINC000028129813 563051286 /nfs/dbraw/zinc/05/12/86/563051286.db2.gz XMQSNNPHJNAYEO-UHFFFAOYSA-N 0 3 430.710 6.365 1 0 IKAFHN CN(C(=O)C(=O)c1ccccc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 ZINC000028356893 563053362 /nfs/dbraw/zinc/05/33/62/563053362.db2.gz AOOVCNDFEQLFRU-UHFFFAOYSA-N 0 3 440.587 5.014 1 0 IKAFHN CCNC(=O)c1ccc(C(c2ccc(F)cc2)=C2C[C@H]3CC[C@@H](C2)N3Cc2ccoc2)cc1 ZINC000028371013 563053846 /nfs/dbraw/zinc/05/38/46/563053846.db2.gz VLGAHHOYYSVFIL-WMPKNSHKSA-N 0 3 444.550 5.797 1 0 IKAFHN CCNC(=O)c1ccc(C(c2ccncc2)=C2C[C@H]3CC[C@@H](C2)N3Cc2ccoc2)cc1 ZINC000028385436 563054157 /nfs/dbraw/zinc/05/41/57/563054157.db2.gz XUHDCTYFAXOGQE-PLQXJYEYSA-N 0 3 427.548 5.053 1 0 IKAFHN CCNC(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)N3Cc2cccnc2)cc1 ZINC000028387303 563054278 /nfs/dbraw/zinc/05/42/78/563054278.db2.gz HOFGKVVWOOSYFP-MKPDMIMOSA-N 0 3 437.587 5.460 1 0 IKAFHN c1ccc(C2=C(c3ccc(OCCN4CCCCC4)cc3)c3ccccc3OCC2)cc1 ZINC000028461290 563055119 /nfs/dbraw/zinc/05/51/19/563055119.db2.gz IUDRKOYRISQLJQ-UHFFFAOYSA-N 0 3 425.572 6.293 1 0 IKAFHN CCCC[C@@H]1c2c3ccccc3[nH]c2[C@H]2Oc3c4c(ccc3OC)C[C@@H]3[C@H]1[C@@]42CCN3C ZINC000028520517 563055906 /nfs/dbraw/zinc/05/59/06/563055906.db2.gz RJLOZLWGWXBUEL-WWFQYMSISA-N 0 3 428.576 5.712 1 0 IKAFHN Cc1ccc(C(=O)Nc2ccccc2NC(=O)OCC2CCN(c3ccncc3)CC2)cc1 ZINC000028526626 563056978 /nfs/dbraw/zinc/05/69/78/563056978.db2.gz KVHAFEVSHXVQRT-UHFFFAOYSA-N 0 3 444.535 5.107 1 0 IKAFHN CC(C)(C)[C@H](NC[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1)c1ccccc1 ZINC000028637021 563059832 /nfs/dbraw/zinc/05/98/32/563059832.db2.gz NXLSPYIPMYWKMG-UFHPHHKVSA-N 0 3 445.603 5.619 1 0 IKAFHN CC(C)[C@H](NC[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1)c1ccccc1 ZINC000028636820 563059862 /nfs/dbraw/zinc/05/98/62/563059862.db2.gz IMSAUJVBNBXQTC-YWEHKCAJSA-N 0 3 431.576 5.229 1 0 IKAFHN Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CC[N@H+](C)CC3)ccc1-c1ccc(Cl)cc1 ZINC000028704211 563061769 /nfs/dbraw/zinc/06/17/69/563061769.db2.gz UAJYHPWCBGWDNL-UHFFFAOYSA-N 0 3 440.996 5.147 1 0 IKAFHN Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CC[N@@H+](C)CC3)ccc1-c1ccc(Cl)cc1 ZINC000028704211 563061770 /nfs/dbraw/zinc/06/17/70/563061770.db2.gz UAJYHPWCBGWDNL-UHFFFAOYSA-N 0 3 440.996 5.147 1 0 IKAFHN CCN1CCC[C@@H](Cn2c(=O)c3cc(OC(F)(F)F)ccc3nc2-c2ccccc2C)C1 ZINC000028711887 563062758 /nfs/dbraw/zinc/06/27/58/563062758.db2.gz TYPWWUNYYCVRRR-QGZVFWFLSA-N 0 3 445.485 5.002 1 0 IKAFHN NCc1ccccc1C1(O)CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000028817224 563064574 /nfs/dbraw/zinc/06/45/74/563064574.db2.gz ASFBQTPLOUDQLA-UHFFFAOYSA-N 0 3 441.402 5.525 1 0 IKAFHN COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCCN1CCC[C@@H](C)C1 ZINC000028819834 563065231 /nfs/dbraw/zinc/06/52/31/563065231.db2.gz PDPHGOYIBMEXMB-OAHLLOKOSA-N 0 3 449.378 5.273 1 0 IKAFHN CN(CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21)Cc1ccccc1 ZINC000028821647 563065464 /nfs/dbraw/zinc/06/54/64/563065464.db2.gz ZBAFNVLNTIJCGR-UHFFFAOYSA-N 0 3 428.523 6.830 1 0 IKAFHN CC(C)Nc1ncnc2oc(-c3ccc(OCCN4CCCC4)cc3)c(-c3ccccc3)c21 ZINC000028879391 563067802 /nfs/dbraw/zinc/06/78/02/563067802.db2.gz SSVDSZIWJBBCNN-UHFFFAOYSA-N 0 3 442.563 5.852 1 0 IKAFHN COc1ccc2nccc([C@@H]3CN(C4CCN(Cc5ccc(C)c(C)c5)CC4)C(=O)O3)c2c1 ZINC000028893717 563068622 /nfs/dbraw/zinc/06/86/22/563068622.db2.gz DBMAUWVASVSMOE-SANMLTNESA-N 0 3 445.563 5.018 1 0 IKAFHN COc1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)ccc1OCCN1CCCC1 ZINC000028899151 563068923 /nfs/dbraw/zinc/06/89/23/563068923.db2.gz DCEYALJDOVAYRX-UHFFFAOYSA-N 0 3 432.520 5.214 1 0 IKAFHN COc1cc(NC(=O)Nc2ccc(-c3ccccc3)cc2)ccc1OCCN1CCCC1 ZINC000028899156 563068933 /nfs/dbraw/zinc/06/89/33/563068933.db2.gz XLYASTCRGPGRAP-UHFFFAOYSA-N 0 3 431.536 5.481 1 0 IKAFHN CCN(Cc1c(C)nc2n1c1cccnc1n2-c1c(C)cc(C)cc1Cl)CC1CCC1 ZINC000028903750 563069239 /nfs/dbraw/zinc/06/92/39/563069239.db2.gz YAUNEGRGWKDMDO-UHFFFAOYSA-N 0 3 436.003 5.874 1 0 IKAFHN CC[C@@]1(CCCCN2CCN(c3ccc(Cl)cc3)CC2)C(=O)Nc2ccc(F)cc21 ZINC000029052525 563073040 /nfs/dbraw/zinc/07/30/40/563073040.db2.gz ISWLMFBTCIVZDN-DEOSSOPVSA-N 0 3 429.967 5.072 1 0 IKAFHN CC[C@]1(CCCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2cc(F)ccc21 ZINC000029052761 563073148 /nfs/dbraw/zinc/07/31/48/563073148.db2.gz ZZHRSCMSVPSESL-XMMPIXPASA-N 0 3 429.967 5.072 1 0 IKAFHN CC[C@]1(CCCCN2CCN(c3cccc(Cl)c3)CC2)c2cc(Cl)ccc2NC1=O ZINC000029052746 563073196 /nfs/dbraw/zinc/07/31/96/563073196.db2.gz YFDRVPRNWMMHLM-DEOSSOPVSA-N 0 3 446.422 5.586 1 0 IKAFHN CC[C@@]1(CCCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2cc(F)ccc21 ZINC000029052756 563073201 /nfs/dbraw/zinc/07/32/01/563073201.db2.gz ZZHRSCMSVPSESL-DEOSSOPVSA-N 0 3 429.967 5.072 1 0 IKAFHN CC[C@@]1(CCCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2ccc(F)cc21 ZINC000029052765 563073206 /nfs/dbraw/zinc/07/32/06/563073206.db2.gz OGUHCHBFMUYJMX-DEOSSOPVSA-N 0 3 429.967 5.072 1 0 IKAFHN CC[C@@]1(CCCCN2CCN(c3ccc(F)c(Cl)c3)CC2)C(=O)Nc2ccccc21 ZINC000029054964 563073424 /nfs/dbraw/zinc/07/34/24/563073424.db2.gz MKAIBBXLYYMCBV-DEOSSOPVSA-N 0 3 429.967 5.072 1 0 IKAFHN O=C(NC1CCN(Cc2ccc3cc(F)ccc3c2)CC1)c1cccc(-c2ccccc2)c1 ZINC000029123742 563074018 /nfs/dbraw/zinc/07/40/18/563074018.db2.gz MLRBFEYTYKCZGY-UHFFFAOYSA-N 0 3 438.546 6.040 1 0 IKAFHN COc1ccc([C@H](c2cccs2)c2ccc(OC[C@H](O)CN3CCCCC3)cc2)cc1 ZINC000029131580 563075683 /nfs/dbraw/zinc/07/56/83/563075683.db2.gz XQVYFUMOSPOTPL-GJZUVCINSA-N 0 3 437.605 5.163 1 0 IKAFHN COc1ccc([C@@H](c2cccs2)c2ccc(OC[C@@H](O)CN3CCCCC3)cc2)cc1 ZINC000029131578 563075704 /nfs/dbraw/zinc/07/57/04/563075704.db2.gz XQVYFUMOSPOTPL-BKMJKUGQSA-N 0 3 437.605 5.163 1 0 IKAFHN O=C(c1ccncc1)N1CCC2(CCN(Cc3ccccc3Oc3ccccc3)CC2)CC1 ZINC000029133670 563075983 /nfs/dbraw/zinc/07/59/83/563075983.db2.gz IRDUJBOZWQOVPG-UHFFFAOYSA-N 0 3 441.575 5.392 1 0 IKAFHN CNc1cc(NC(=O)OC)ccc1N=C1C2=CCCC(C)(C)C2=N[C@@H]2C1=CC=CC2(C)C ZINC000029339426 563078371 /nfs/dbraw/zinc/07/83/71/563078371.db2.gz WBMWGXSMQBTLEK-JOCHJYFZSA-N 0 3 432.568 5.904 1 0 IKAFHN CC1(C)Oc2ccccc2[C@@H](c2ccc(OCCN3CCCC3)cc2)[C@@H]1c1ccccc1 ZINC000029471789 563080723 /nfs/dbraw/zinc/08/07/23/563080723.db2.gz UFUJEOSDMVGVSC-IZLXSDGUSA-N 0 3 427.588 6.248 1 0 IKAFHN COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CCCCC1 ZINC000029556739 563082129 /nfs/dbraw/zinc/08/21/29/563082129.db2.gz QXZNYTGAAOAYAM-UHFFFAOYSA-N 0 3 430.911 5.039 1 0 IKAFHN C[C@@H](Cn1c2ccccc2nc1NC1CCN(CCc2ccccc2)CC1)c1ccccc1 ZINC000029558846 563082205 /nfs/dbraw/zinc/08/22/05/563082205.db2.gz PPKVHBYTSUNEDJ-QHCPKHFHSA-N 0 3 438.619 5.959 1 0 IKAFHN Clc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccccc3)CC2)cc1 ZINC000029560442 563082295 /nfs/dbraw/zinc/08/22/95/563082295.db2.gz OORNAVZMLHZXMN-UHFFFAOYSA-N 0 3 445.010 5.857 1 0 IKAFHN CN(c1nc2ccccc2n1Cc1ccc(F)cc1)C1CCN(CCc2ccccc2)CC1 ZINC000029560627 563082326 /nfs/dbraw/zinc/08/23/26/563082326.db2.gz VBVIKRHCDMFVJS-UHFFFAOYSA-N 0 3 442.582 5.367 1 0 IKAFHN Cc1ccc(Cn2c3ccccc3nc2N(C)C2CCN(CCc3ccccc3)CC2)cc1 ZINC000029569045 563082823 /nfs/dbraw/zinc/08/28/23/563082823.db2.gz RIWSYCADRZWNCZ-UHFFFAOYSA-N 0 3 438.619 5.536 1 0 IKAFHN C[C@H](c1ccc(F)cc1)n1c2ccccc2nc1NC1CCN(CCc2ccccc2)CC1 ZINC000029569223 563082948 /nfs/dbraw/zinc/08/29/48/563082948.db2.gz ZJCNMXJGFOYQRQ-OAQYLSRUSA-N 0 3 442.582 5.904 1 0 IKAFHN Fc1ccccc1Cn1c2ccccc2nc1NC1CCN(CCc2ccccc2)CC1 ZINC000029569430 563082987 /nfs/dbraw/zinc/08/29/87/563082987.db2.gz UJXGEBAZHAIXFP-UHFFFAOYSA-N 0 3 428.555 5.343 1 0 IKAFHN Clc1ccc([C@@H](Cc2ccccc2)c2c(Cl)nc(N3CCNCC3)nc2Cl)cc1 ZINC000031897393 563083666 /nfs/dbraw/zinc/08/36/66/563083666.db2.gz BTPBUQKJMHWWNF-GOSISDBHSA-N 0 3 447.797 5.221 1 0 IKAFHN CCC1=C(c2ccc(O)cc2)c2ccc(OCCN(C)C)cc2SCc2ccccc21 ZINC000033889726 563084952 /nfs/dbraw/zinc/08/49/52/563084952.db2.gz ZQSMVXIDYCBVDH-UHFFFAOYSA-N 0 3 431.601 6.307 1 0 IKAFHN COc1ccc2c(c1)oc(=O)c(-c1ccccc1)c2-c1ccc(OCCN2CCCC2)cc1 ZINC000033876394 563084977 /nfs/dbraw/zinc/08/49/77/563084977.db2.gz WVIZWBKWFUJILJ-UHFFFAOYSA-N 0 3 441.527 5.610 1 0 IKAFHN O=C(Nc1ccccc1Cl)O[C@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 ZINC000034631117 563086597 /nfs/dbraw/zinc/08/65/97/563086597.db2.gz UBMJTPXGHBYFOE-FTJBHMTQSA-N 0 3 446.978 6.183 1 0 IKAFHN CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cc(C(C)(C)C)cc4[nH]cc(c43)C[C@H]21 ZINC000034800932 563087325 /nfs/dbraw/zinc/08/73/25/563087325.db2.gz JIEYWGGNJSSGDF-UWUFEASWSA-N 0 3 445.607 5.352 1 0 IKAFHN Cc1cccc(CN2CCC(N3C[C@@](c4ccccc4)(C4CCCCC4)NC3=O)CC2)c1 ZINC000034802123 563087612 /nfs/dbraw/zinc/08/76/12/563087612.db2.gz MRELIADAHWJAPD-MUUNZHRXSA-N 0 3 431.624 5.460 1 0 IKAFHN O=C1N(Cc2ccccc2)[C@@H](c2ccccc2)CN1C1CCN(Cc2ccccc2)CC1 ZINC000034802137 563087633 /nfs/dbraw/zinc/08/76/33/563087633.db2.gz HEOLOYBLVYPIDH-HHHXNRCGSA-N 0 3 425.576 5.330 1 0 IKAFHN C[C@H]1CN2CCN(Cc3cccc(Oc4ccccc4)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 ZINC000035075224 563089151 /nfs/dbraw/zinc/08/91/51/563089151.db2.gz OFXDNKVWESBBSG-OMRWSRCMSA-N 0 3 442.603 5.668 1 0 IKAFHN O=C(Nc1ccccc1Cl)O[C@@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 ZINC000035820523 563089967 /nfs/dbraw/zinc/08/99/67/563089967.db2.gz UBMJTPXGHBYFOE-IZZNHLLZSA-N 0 3 446.978 6.183 1 0 IKAFHN CC(C)C[C@H](N)c1cc(F)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000036285828 563092475 /nfs/dbraw/zinc/09/24/75/563092475.db2.gz YUFHFXQMTLZCJK-JPYJTQIMSA-N 0 3 446.010 5.052 1 0 IKAFHN Cc1ccc(Oc2ccc3c(c2)occ(-c2ccc(N4CC[C@H](N(C)C)C4)nc2)c3=O)cc1 ZINC000036351536 563093280 /nfs/dbraw/zinc/09/32/80/563093280.db2.gz UUDYITTYWHKWMB-FQEVSTJZSA-N 0 3 441.531 5.096 1 0 IKAFHN Nc1cc(C2CCCC2)nc2ccc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)cc12 ZINC000036351898 563093444 /nfs/dbraw/zinc/09/34/44/563093444.db2.gz JXCIBNRWOQTDEP-KPKJPENVSA-N 0 3 425.454 6.145 1 0 IKAFHN CC(C)(C)Cc1cc(N)c2cc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)ccc2n1 ZINC000036351882 563093471 /nfs/dbraw/zinc/09/34/71/563093471.db2.gz VMAKKIUPVLGJGU-IZZDOVSWSA-N 0 3 427.470 6.076 1 0 IKAFHN CCCN(CCCCNc1ccnc2cc(Cl)ccc21)Cc1cccc2c1OCO2 ZINC000036474298 563095461 /nfs/dbraw/zinc/09/54/61/563095461.db2.gz DZQTYJUSPIYFEJ-UHFFFAOYSA-N 0 3 425.960 5.721 1 0 IKAFHN CN(C)Cc1ccc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2n1 ZINC000038149738 563096640 /nfs/dbraw/zinc/09/66/40/563096640.db2.gz RAXCDNRFFLXBJM-UHFFFAOYSA-N 0 3 446.963 5.377 1 0 IKAFHN c1ccc(CCCCN2CCN(CCCCn3c4ccccc4c4ccccc43)CC2)cc1 ZINC000040380338 563099622 /nfs/dbraw/zinc/09/96/22/563099622.db2.gz XCFSHEMBUMCMIB-UHFFFAOYSA-N 0 3 439.647 6.215 1 0 IKAFHN CCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O ZINC000040405151 563101279 /nfs/dbraw/zinc/10/12/79/563101279.db2.gz NAULSWWRXJIQAH-UHFFFAOYSA-N 0 3 439.603 5.327 1 0 IKAFHN C[C@@H]1c2ccccc2[C@H](CN2CCCC2)N(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H]1C ZINC000040472055 563103929 /nfs/dbraw/zinc/10/39/29/563103929.db2.gz PLYOATQTXPMHSZ-MFEFFIJZSA-N 0 3 431.407 5.707 1 0 IKAFHN CC(C)(C)c1ccc(NC(=O)c2c(Cn3ccc4cnccc43)ccc3ccccc32)cc1 ZINC000040556614 563104594 /nfs/dbraw/zinc/10/45/94/563104594.db2.gz QBLUCJVUCLKJOT-UHFFFAOYSA-N 0 3 433.555 6.788 1 0 IKAFHN C[C@@H](N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1)c1cccc2ccccc21 ZINC000040766927 563106609 /nfs/dbraw/zinc/10/66/09/563106609.db2.gz NSFZDYBBKDKESR-UOKFIYJESA-N 0 3 443.012 5.434 1 0 IKAFHN COc1ccccc1N1CCN(CCCCCCSc2nc3ccccc3o2)CC1 ZINC000040917240 563111519 /nfs/dbraw/zinc/11/15/19/563111519.db2.gz UAQAANDOLMXUHK-UHFFFAOYSA-N 0 3 425.598 5.311 1 0 in-vitro IKAFHN Cc1c(CNC2CCCC2)nn(-c2ncccc2Cl)c1-c1ccc(C(F)(F)F)nc1 ZINC000040954869 563114572 /nfs/dbraw/zinc/11/45/72/563114572.db2.gz KFCRNTJMDMAOQP-UHFFFAOYSA-N 0 3 435.881 5.342 1 0 IKAFHN O=C(N[C@@H]1CCCN(Cc2ccc3cc(F)ccc3c2)C1)c1ccccc1-c1ccccc1 ZINC000043020085 563117143 /nfs/dbraw/zinc/11/71/43/563117143.db2.gz GDDUTDROJXVVIG-AREMUKBSSA-N 0 3 438.546 6.040 1 0 IKAFHN COc1ccc(CNCc2cccc(-c3ccc(-c4nc5ccccc5[nH]4)s3)c2)cc1 ZINC000045186646 563122757 /nfs/dbraw/zinc/12/27/57/563122757.db2.gz IOVIEIPIGZNTTH-UHFFFAOYSA-N 0 3 425.557 6.257 1 0 IKAFHN O=C(Nc1ccc(OC2CCN(Cc3ccccc3)CC2)c(Cl)c1)c1ccc(F)cc1 ZINC000045186505 563122759 /nfs/dbraw/zinc/12/27/59/563122759.db2.gz PKOLPWKHLISMDG-UHFFFAOYSA-N 0 3 438.930 5.775 1 0 IKAFHN O=c1cc(NCCCNCc2ccc(Cl)c(Cl)c2)[nH]c2ccc(C(F)(F)F)cc12 ZINC000045188926 563123109 /nfs/dbraw/zinc/12/31/09/563123109.db2.gz YVRIGDPBBMWKKJ-UHFFFAOYSA-N 0 3 444.284 5.446 1 0 IKAFHN COC(=O)c1cccc(CNCc2ccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)cc2)c1 ZINC000045190722 563123649 /nfs/dbraw/zinc/12/36/49/563123649.db2.gz BBGBFSFNBOTPLY-UHFFFAOYSA-N 0 3 447.538 5.973 1 0 IKAFHN CNc1ccc(CNCc2cccc(-c3ccc(-c4nc5c(cccc5C)[nH]4)cc3)c2)cc1 ZINC000045191737 563123707 /nfs/dbraw/zinc/12/37/07/563123707.db2.gz QIZMDZJXPAVJDB-UHFFFAOYSA-N 0 3 432.571 6.537 1 0 IKAFHN COc1ccc(CNCc2cccc(-c3ccc(-c4nc5c(cccc5C)[nH]4)cc3)c2)cc1 ZINC000045194339 563124221 /nfs/dbraw/zinc/12/42/21/563124221.db2.gz RVKDNRGYVOBBLE-UHFFFAOYSA-N 0 3 433.555 6.504 1 0 IKAFHN COc1ccc(CNCc2cccc(-c3ccc(-c4nc5cccc(C)c5[nH]4)cc3)c2)cc1 ZINC000045194339 563124223 /nfs/dbraw/zinc/12/42/23/563124223.db2.gz RVKDNRGYVOBBLE-UHFFFAOYSA-N 0 3 433.555 6.504 1 0 IKAFHN CCc1ccc(CN2CC[C@@H](CNC(=O)c3cc(-c4cccc(Cl)c4)cs3)C2)cc1 ZINC000045201629 563124822 /nfs/dbraw/zinc/12/48/22/563124822.db2.gz UPYRRKVDGCFLHC-FQEVSTJZSA-N 0 3 439.024 5.883 1 0 IKAFHN CN(C)CCNCc1ccc(-c2ccc3c(c2)nccc3Nc2ccc(Cl)cc2F)o1 ZINC000045210917 563125327 /nfs/dbraw/zinc/12/53/27/563125327.db2.gz SQVAAFGJEOMTHQ-UHFFFAOYSA-N 0 3 438.934 5.682 1 0 IKAFHN CC[C@@H]1CN2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1CC1=NCCc2c3ccccc3[nH]c21 ZINC000045228294 563125595 /nfs/dbraw/zinc/12/55/95/563125595.db2.gz DDSRFAMOWJZKMB-RYTUXRKISA-N 0 3 436.603 6.030 1 0 IKAFHN COc1ccc(-c2nc3ccccc3n2C2CCN(Cc3ccc(C)o3)CC2)cc1OC ZINC000045322535 563130544 /nfs/dbraw/zinc/13/05/44/563130544.db2.gz JNUIWXPLHDAWEN-UHFFFAOYSA-N 0 3 431.536 5.459 1 0 IKAFHN CN1CCC(C(=O)Nc2ccc(-c3cccc(-c4nc5cc(F)ccc5[nH]4)c3)cc2)CC1 ZINC000045323299 563130677 /nfs/dbraw/zinc/13/06/77/563130677.db2.gz MEADPEOLAQSKAA-UHFFFAOYSA-N 0 3 428.511 5.316 1 0 IKAFHN CN(c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc23)cc1)c1ccc(F)c(F)c1 ZINC000045324725 563130912 /nfs/dbraw/zinc/13/09/12/563130912.db2.gz IYEJAIHDFCXVRY-UHFFFAOYSA-N 0 3 439.481 5.288 1 0 IKAFHN Cc1ccc2[nH]c(-c3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)cc3)nc2c1C ZINC000045334702 563131183 /nfs/dbraw/zinc/13/11/83/563131183.db2.gz PIGIMKPCEAYVHM-UHFFFAOYSA-N 0 3 438.575 5.241 1 0 IKAFHN COC(=O)c1cccc(CNCc2cccc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)c2)c1 ZINC000045335585 563131257 /nfs/dbraw/zinc/13/12/57/563131257.db2.gz NLIXGYXKWGYSPV-UHFFFAOYSA-N 0 3 447.538 5.973 1 0 IKAFHN CC(=O)N(C)[C@@H]1CCN(Cc2ccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)s3)cc2)C1 ZINC000045335342 563131317 /nfs/dbraw/zinc/13/13/17/563131317.db2.gz ZTBJTWFEVISZIS-HXUWFJFHSA-N 0 3 448.567 5.150 1 0 IKAFHN COCCNCc1cccc(-c2ccc3c(c2)nccc3Nc2ccc(F)cc2Cl)c1 ZINC000045336531 563131519 /nfs/dbraw/zinc/13/15/19/563131519.db2.gz HKRBFNPYRDNJSQ-UHFFFAOYSA-N 0 3 435.930 6.174 1 0 IKAFHN N=C(N)c1cc2c(cccc2O[C@H](c2nc(-c3ccccc3)no2)c2ccccc2)s1 ZINC000045355260 563132502 /nfs/dbraw/zinc/13/25/02/563132502.db2.gz QUNDYCNUUZNGBN-NRFANRHFSA-N 0 3 426.501 5.404 1 0 IKAFHN C[NH+](C)CCCOc1ccc(-c2nc3ccc(F)cc3c3c2-c2ccc([O-])cc2C3=O)cc1 ZINC000045355633 563132610 /nfs/dbraw/zinc/13/26/10/563132610.db2.gz CGZWOLSAFSPSCO-UHFFFAOYSA-N 0 3 442.490 5.288 1 0 IKAFHN O=C1[N-]C(=O)C(=CNc2ccc(C[NH+]3CCCCC3)cc2)c2cc(-c3ccsc3)ccc21 ZINC000045497297 563134514 /nfs/dbraw/zinc/13/45/14/563134514.db2.gz HXANTJZDCQFNKD-IWIPYMOSSA-N 0 3 443.572 5.124 1 0 IKAFHN CN(C)CCOc1ccc([C@@H]2Oc3cc(O)ccc3C3=C2c2ccccc2OCC3)cc1 ZINC000049049098 563136744 /nfs/dbraw/zinc/13/67/44/563136744.db2.gz WPJLHHRTPCVRPU-MHZLTWQESA-N 0 3 429.516 5.160 1 0 IKAFHN CN(C)CCOc1ccc([C@H]2Oc3ccccc3C3=C2c2ccc(O)cc2OCC3)cc1 ZINC000049114760 563138685 /nfs/dbraw/zinc/13/86/85/563138685.db2.gz OWFHDXINKUZAPM-HHHXNRCGSA-N 0 3 429.516 5.160 1 0 IKAFHN Cc1cc(-c2nn(-c3ccccc3F)cc2CN2CCN(c3ccncc3)CC2)c(C)s1 ZINC000055211604 563142435 /nfs/dbraw/zinc/14/24/35/563142435.db2.gz CCQZQMGCZLOFGM-UHFFFAOYSA-N 0 3 447.583 5.074 3 0 IKAFHN C[C@@H](NC(=O)C1CCN(CCOc2ccc(Cl)cc2)CC1)c1cccc2ccccc21 ZINC000061897584 563147579 /nfs/dbraw/zinc/14/75/79/563147579.db2.gz YSFSGKBBGFAUKW-LJQANCHMSA-N 0 3 436.983 5.461 3 0 IKAFHN COc1ccc(CN2C[C@H]3CON(C)[C@H]3C[C@H]2c2ccc(-c3cccc(F)c3)cc2)cc1 ZINC000061924030 563149669 /nfs/dbraw/zinc/14/96/69/563149669.db2.gz UYZPJLOZWDRLPZ-YGPDHOBYSA-N 0 3 432.539 5.310 3 0 IKAFHN COc1ccc(C[C@@H](N)c2csc(Nc3ccc(C(=O)c4ccccc4)cc3)n2)cc1 ZINC000061927499 563150188 /nfs/dbraw/zinc/15/01/88/563150188.db2.gz QZJFSNCMOFRCRL-JOCHJYFZSA-N 0 3 429.545 5.369 3 0 IKAFHN C[C@]1(Oc2cnc(Cl)c3ccccc23)CCN(Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000061928288 563150378 /nfs/dbraw/zinc/15/03/78/563150378.db2.gz WVQCRCMIKQLUBN-NRFANRHFSA-N 0 3 436.861 5.830 3 0 IKAFHN COc1cccc(-c2sc3ccccc3c2-c2ccc(OCCN3CCCC3)cc2)c1 ZINC000061947944 563151544 /nfs/dbraw/zinc/15/15/44/563151544.db2.gz SHFSMMIREYPMIZ-UHFFFAOYSA-N 0 3 429.585 6.719 3 0 IKAFHN COc1cccc(OC)c1SCCNCCOc1ccccc1OCc1ccccc1 ZINC000064245713 563152427 /nfs/dbraw/zinc/15/24/27/563152427.db2.gz IHLSYSUPBGFXLU-UHFFFAOYSA-N 0 3 439.577 5.044 1 0 IKAFHN Oc1ccc(-c2nc3ccc(O)cc3n2Cc2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000064245782 563152485 /nfs/dbraw/zinc/15/24/85/563152485.db2.gz DSCDJOBPZLMFKK-UHFFFAOYSA-N 0 3 443.547 5.028 1 0 IKAFHN CCN1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4ccc(F)cc4)c3c2)CC1 ZINC000071318808 563162133 /nfs/dbraw/zinc/16/21/33/563162133.db2.gz IDZBOTHMTANNKW-UHFFFAOYSA-N 0 3 432.465 5.147 1 0 IKAFHN CCCOc1ccc2c(c1)oc1c2C(=O)c2ccc(OCCN(CC)CC)cc2C1(C)C ZINC000071334116 563162553 /nfs/dbraw/zinc/16/25/53/563162553.db2.gz OIWFCYOSHRQTLV-UHFFFAOYSA-N 0 3 435.564 5.813 1 0 IKAFHN CN(Cc1ccc(Cl)cc1)Cc1cccc(CNc2ccnc3cc(Cl)ccc32)c1 ZINC000072119963 563163796 /nfs/dbraw/zinc/16/37/96/563163796.db2.gz MKYWAKVWSOIUCP-UHFFFAOYSA-N 0 3 436.386 6.786 1 0 IKAFHN FC(F)(F)c1ccc(-c2ccc3c(c2)nccc3NCCCNCc2ccco2)cc1 ZINC000072122971 563164000 /nfs/dbraw/zinc/16/40/00/563164000.db2.gz QFDJUTNPVXUTOP-UHFFFAOYSA-N 0 3 425.454 6.105 1 0 IKAFHN Fc1cccc(F)c1N1CCC(N[C@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072185775 563168108 /nfs/dbraw/zinc/16/81/08/563168108.db2.gz FQXVWMOFTODYHH-JOCHJYFZSA-N 0 3 447.451 5.727 1 0 IKAFHN FC(F)(F)c1ccc(N2CCC(N[C@@H](c3ccc(Cl)cc3)c3cccnc3)CC2)cc1 ZINC000072185952 563168182 /nfs/dbraw/zinc/16/81/82/563168182.db2.gz NCYSELBGNKFHAG-QHCPKHFHSA-N 0 3 445.916 6.102 1 0 IKAFHN FC(F)(F)Sc1ccc2c(c1)C(=C1CCN(CC3CC3)CC1)c1ccccc1C=C2 ZINC000072283658 563168384 /nfs/dbraw/zinc/16/83/84/563168384.db2.gz GCRUXZKMBCLCMN-UHFFFAOYSA-N 0 3 427.535 7.090 1 0 IKAFHN O=C(N[C@H]1CC[C@H]2CN(Cc3ccc(F)cc3)C[C@H]21)C(C1CCCCC1)C1CCCCC1 ZINC000084652303 563174889 /nfs/dbraw/zinc/17/48/89/563174889.db2.gz HNEDCQXLKCTODF-DMDYGQEQSA-N 0 3 440.647 5.929 1 0 IKAFHN O=C(Nc1ccc2cc(CN3CCCC3)cnc2c1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000084670700 563175267 /nfs/dbraw/zinc/17/52/67/563175267.db2.gz KLPGSSBKQHEWRL-UHFFFAOYSA-N 0 3 425.507 5.889 1 0 IKAFHN Cc1c(NC(=O)c2ccc(OCC3CC3)cc2)ccc2cc([C@H](C)N3CCCCC3)cnc21 ZINC000084705135 563176710 /nfs/dbraw/zinc/17/67/10/563176710.db2.gz RJUBOKLKRKNIFB-FQEVSTJZSA-N 0 3 443.591 6.131 1 0 IKAFHN Cc1c(NC(=O)c2ccc(OCCC3CC3)cc2)ccc2cc(CN3CCCC3)cnc21 ZINC000084705005 563176722 /nfs/dbraw/zinc/17/67/22/563176722.db2.gz GNOUTRNRKMHDGH-UHFFFAOYSA-N 0 3 429.564 5.570 1 0 IKAFHN Cc1ccc(C2CCN(C(=O)Nc3ccc4cc(CN5CCCC5)cnc4c3)CC2)cc1 ZINC000084758908 563179787 /nfs/dbraw/zinc/17/97/87/563179787.db2.gz QJMPLSWRBDLBFO-UHFFFAOYSA-N 0 3 428.580 5.551 1 0 IKAFHN O=c1[nH]c2ccc(OCCCCN3CCC(c4cccc(Cl)c4Cl)CC3)cc2[nH]1 ZINC000095553126 563181024 /nfs/dbraw/zinc/18/10/24/563181024.db2.gz JEZQFKLGYQTDDK-UHFFFAOYSA-N 0 3 434.367 5.202 1 0 IKAFHN CN1CCN(CCCc2ccc([C@H](c3ccccc3)C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000095562201 563182598 /nfs/dbraw/zinc/18/25/98/563182598.db2.gz DOUDDYLEUDBZLJ-ONWBCECJSA-N 0 3 442.691 6.215 1 0 IKAFHN CN1CCC(COCc2cc(C(F)(F)F)cc(C3CC3)n2)(c2ccc(Cl)cc2)CC1 ZINC000095589131 563189561 /nfs/dbraw/zinc/18/95/61/563189561.db2.gz MPSBRZBCWQGWFI-UHFFFAOYSA-N 0 3 438.921 5.811 1 0 IKAFHN CCCCCN(CCCCC)CC(=O)Nc1nc2ccc(Br)cc2s1 ZINC000095595206 563191295 /nfs/dbraw/zinc/19/12/95/563191295.db2.gz IIVOPCBIMKTOOD-UHFFFAOYSA-N 0 3 426.424 5.680 1 0 IKAFHN